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(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-(4-methoxyphenyl)
(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-(4-methoxyphenyl)
ID: BP-12248
Supplier:BroadPharm

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SMILES:C1(=C(C(=O)N(C1=O)c1ccc(cc1)OC)P1[C@@H](CC[C@H]1C)C)P1[C@@H](CC[C@H]1C)C.[B-](F)(F)(F)F.C1=CCCC=CCC1.[Rh+]	
FORMULA: C31H43BF4NO3P2Rh
MASS: 729.3357
EXACT MASS: 729.1802398
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      P   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2833     0.0000 
   N   3    2.0464     2.0516     0.0000 
   C   4    1.3087     2.0866     1.2354     0.0000 
   C   5    2.0733     1.3038     1.2354     2.0416     0.0000 
   P   6    1.2142     2.3692     3.1191     2.0633     3.2875     0.0000 
   P   7    2.3255     1.1778     3.1042     3.2642     2.0552     3.1792 
   B   8    8.0916     8.0770    10.0047     9.3755     9.3537     7.5247 
   C   9    3.2417     3.2450     1.2333     2.1826     2.1826     4.2247 
   O  10    2.2698     3.2845     2.2069     1.2347     3.2337     2.4536 
   O  11    3.2737     2.2612     2.2110     3.2378     1.2387     4.4821 
   C  12    2.2115     3.4860     3.6213     2.3918     4.1519     1.2820 
   C  13    3.4705     2.1969     3.6292     4.1567     2.4000     4.4423 
   C  14    2.9962     2.2263     4.2718     4.1790     3.3216     3.4332 
   C  15    2.2457     3.0302     4.2827     3.3266     4.1972     1.2959 
   C  16    4.4509     3.2611     4.9197     5.3248     3.7043     5.2340 
   C  17    4.2053     3.2401     5.1883     5.3015     4.0791     4.7242 
   C  18    3.2813     4.2460     5.2196     4.1108     5.3307     2.1041 
   C  19    3.2769     4.4720     4.9091     3.6919     5.3226     2.1029 
   C  20    3.8210     4.1677     2.1375     2.5464     3.2949     4.5563 
   C  21    4.1541     3.8174     2.1293     3.2844     2.5461     5.2481 
   F  22    9.0799     8.9398    10.9243    10.3803    10.1833     8.6051 
   F  23    7.3648     7.1914     9.1829     8.6701     8.4334     6.9567 
   F  24    7.1842     7.3177     9.1596     8.4378     8.6163     6.5110 
   F  25    8.9340     9.0417    10.9047    10.1870    10.3354     8.2490 
   C  26    6.3258     6.4347     8.2881     7.5907     7.7328     5.6974 
   C  27    5.6186     5.9369     7.6424     6.8245     7.2382     4.8367 
   C  28    6.6777     6.3830     8.4073     7.9860     7.5907     6.4033 
   C  29    5.7124     5.5625     7.5379     7.0184     6.8217     5.3403 
   C  30    5.7287     5.7268     3.7458     4.5613     4.5538     6.6222 
   C  31    5.3206     5.0621     3.2743     4.3260     3.7960     6.3575 
   C  32    5.0648     5.3313     3.2797     3.7962     4.3340     5.7996 
  Rh  33    1.4684     1.5150     3.2920     2.7729     2.8064     1.6760 
   O  34    6.9721     6.9705     4.9958     5.7855     5.7796     7.8402 
   C  35    3.1059     2.8208     4.8131     4.4067     4.0862     3.0874 
   C  36    3.9076     2.6624     3.4021     4.2428     2.2254     5.0314 
   C  37    2.7161     3.9593     3.4184     2.2472     4.2683     2.2369 
   C  38    2.8212     3.1183     4.8148     4.0851     4.4115     2.2871 
   C  39    5.3642     5.0953     7.1072     6.6724     6.3255     5.1208 
   C  40    4.4372     4.3630     6.2972     5.7411     5.6469     4.0700 
   C  41    4.3661     4.6680     6.3794     5.5959     5.9681     3.6583 
   C  42    5.0953     5.1423     7.0232     6.3807     6.4378     4.5736 
   C  43    7.7305     7.5408     5.6939     6.6358     6.2761     8.6975 

              P   7      B   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   P   7    0.0000 
   B   8    7.4761     0.0000 
   C   9    4.2137    11.2379     0.0000 
   O  10    4.4538     9.9782     2.6666     0.0000 
   O  11    2.4618     9.9352     2.6701     4.3792     0.0000 
   C  12    4.4143     8.2665     4.4985     2.0781     5.3891     0.0000 
   C  13    1.3059     8.1862     4.5082     5.3898     2.0887     5.6416 
   C  14    1.2959     6.2110     5.4373     5.2624     3.7305     4.7131 
   C  15    3.4332     6.2694     5.4458     3.7252     5.2863     2.0905 
   C  16    2.1255     7.4923     5.8343     6.5409     3.3791     6.4979 
   C  17    2.0901     6.2581     6.2610     6.4443     4.1172     6.0051 
   C  18    4.7191     6.3270     6.2927     4.1486     6.4757     2.1208 
   C  19    5.2172     7.6246     5.8183     3.3574     6.5438     1.3209 
   C  20    5.2417    11.9119     1.2357     2.4153     3.9027     4.4771 
   C  21    4.5549    11.8925     1.2213     3.8853     2.4250     5.6566 
   F  22    8.2249     1.2493    12.1530    11.0545    10.6553     9.4148 
   F  23    6.4805     1.2493    10.4098     9.3919     8.9186     7.8467 
   F  24    6.8588     1.2170    10.3893     8.9543     9.3129     7.1653 
   F  25    8.5261     1.2170    12.1354    10.6852    10.9875     8.8549 
   C  26    5.9799     1.8454     9.5192     8.1489     8.4317     6.4213 
   C  27    5.6887     2.9248     8.8571     7.2569     8.0723     5.4203 
   C  28    5.5963     2.2333     9.6231     8.7936     8.0084     7.3987 
   C  29    4.9180     2.5593     8.7671     7.7606     7.3761     6.2924 
   C  30    6.6072    13.7503     2.5126     4.6000     4.5861     6.6522 
   C  31    5.7984    13.1389     2.1438     4.6917     3.5774     6.6229 
   C  32    6.3522    13.1564     2.1520     3.5708     4.7061     5.6488 
  Rh  33    1.7342     6.7141     4.5252     3.6860     3.7425     2.9568 
   O  34    7.8275    15.0002     3.7625     5.7285     5.7174     7.8010 
   C  35    2.2804     5.2681     6.0369     5.3077     4.7277     4.2886 
   C  36    2.2140     9.3640     3.9966     5.4539     1.3319     6.1171 
   C  37    5.0415     9.4735     4.0002     1.3360     5.4817     1.2072 
   C  38    3.0752     5.2951     6.0383     4.7224     5.3167     3.2887 
   C  39    4.3713     3.1478     8.3277     7.4912     6.8165     6.1618 
   C  40    3.8475     3.7161     7.5296     6.4809     6.3025     5.0669 
   C  41    4.4714     3.8878     7.5985     6.1061     6.8217     4.3918 
   C  42    4.6866     2.9963     8.2561     7.0225     7.1347     5.4351 
   C  43    8.2657    15.6178     4.4922     6.7470     5.9647     8.7915 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0975     0.0000 
   C  15    4.7359     3.1792     0.0000 
   C  16    1.3282     2.0960     5.2221     0.0000 
   C  17    2.0791     1.2940     4.4298     1.2585     0.0000 
   C  18    6.0227     4.4159     1.2873     6.4849     5.6292     0.0000 
   C  19    6.5068     5.2136     2.0939     7.1834     6.4898     1.3109 
   C  20    5.6771     6.3940     5.8453     6.9942     7.3241     6.4824 
   C  21    4.4951     5.8442     6.3992     5.8012     6.4554     7.3467 
   F  22    8.7883     6.9329     7.3799     7.9430     6.7652     7.5248 
   F  23    7.0859     5.1912     5.7747     6.3146     5.1011     6.0810 
   F  24    7.7192     5.6563     5.2292     7.2041     5.9458     5.1720 
   F  25    9.3064     7.2877     6.9614     8.6669     7.4229     6.8113 
   C  26    6.8630     4.7890     4.4313     6.3997     5.1422     4.5034 
   C  27    6.7326     4.6383     3.5420     6.4963     5.2742     3.4150 
   C  28    6.1297     4.3005     5.3083     5.3212     4.1189     5.8129 
   C  29    5.6516     3.6522     4.2037     5.0622     3.8057     4.6772 
   C  30    6.6494     7.8725     7.8851     7.9604     8.5754     8.6180 
   C  31    5.6659     7.0901     7.5541     6.9476     7.6659     8.4345 
   C  32    6.6427     7.5497     7.0910     7.9708     8.4105     7.6934 
  Rh  33    3.0388     1.7574     1.7000     3.6300     3.0484     2.9851 
   O  34    7.8006     9.1011     9.1120     9.0952     9.7658     9.8070 
   C  35    3.2874     1.2076     2.4063     3.2334     2.1794     3.5076 
   C  36    1.1780     3.2389     5.5591     2.2380     3.2192     6.8264 
   C  37    6.1542     5.5760     3.2678     7.1665     6.8431     3.2833 
   C  38    4.2915     2.3905     1.2202     4.4852     3.5108     2.1742 
   C  39    5.0389     3.0861     4.0790     4.4123     3.1577     4.7242 
   C  40    4.7551     2.6662     2.9784     4.4225     3.1942     3.6217 
   C  41    5.5751     3.5070     2.3851     5.4806     4.3175     2.5944 
   C  42    5.6075     3.5185     3.3665     5.2420     3.9990     3.7270 
   C  43    8.0407     9.5600     9.9358     9.2782    10.0810    10.7278 

              C  19      C  20      C  21      F  22      F  23      F  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.7712     0.0000 
   C  21    6.9693     2.1250     0.0000 
   F  22    8.8295    12.8952    12.7294     0.0000 
   F  23    7.3910    11.1712    10.9794     1.7500     0.0000 
   F  24    6.4568    10.9840    11.1258     2.4661     1.7375     0.0000 
   F  25    8.0637    12.7333    12.8558     1.7375     2.4661     1.7500 
   C  26    5.8089    10.1352    10.2446     3.0214     1.7499     0.8842 
   C  27    4.7039     9.3651     9.6812     4.1476     2.9099     1.7574 
   C  28    7.1016    10.4443    10.1311     2.6590     1.0018     2.4120 
   C  29    5.9667     9.5183     9.3664     3.3864     1.6531     2.1499 
   C  30    7.9532     2.1856     2.1611    14.6575    12.9119    12.8976 
   C  31    7.9437     2.4654     1.2500    13.9793    12.2294    12.3610 
   C  32    6.9165     1.2500     2.4654    14.1305    12.4019    12.2335 
  Rh  33    3.5545     5.2429     5.2580     7.6581     5.9290     5.8793 
   O  34    9.0843     3.3285     3.3125    15.9049    14.1586    14.1456 
   C  35    4.4997     6.8410     6.6280     6.1211     4.3746     4.5855 
   C  36    7.1341     5.2254     3.6996     9.9595     8.2619     8.8847 
   C  37    2.2358     3.6798     5.2165    10.6189     9.0395     8.3713 
   C  38    3.2517     6.6283     6.8400     6.3368     4.6715     4.3630 
   C  39    5.9747     9.1336     8.8710     3.8599     2.1113     2.8049 
   C  40    4.8627     8.2501     8.1801     4.6451     2.9297     3.0113 
   C  41    3.8998     8.1417     8.4103     5.0230     3.4982     2.8542 
   C  42    5.0269     8.9156     8.9562     4.0321     2.4116     2.1831 
   C  43   10.0970     4.3339     3.7300    16.4589    14.7090    14.8284 

              F  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   F  25    0.0000 
   C  26    2.6169     0.0000 
   C  27    3.4385     1.1733     0.0000 
   C  28    3.4473     2.0416     3.0308     0.0000 
   C  29    3.6548     1.4218     2.0917     1.1356     0.0000 
   C  30   14.6449    12.0293    11.3462    12.1089    11.2730     0.0000 
   C  31   14.0946    11.4812    10.8942    11.3800    10.6155     1.2221 
   C  32   13.9830    11.3836    10.6143    11.6597    10.7497     1.2648 
  Rh  33    7.6197     5.0030     4.4365     5.2161     4.2765     7.0378 
   O  34   15.8933    13.2781    12.5870    13.3503    12.5211     1.2500 
   C  35    6.2736     3.7040     3.4485     3.6038     2.7417     8.5373 
   C  36   10.4818     8.0235     7.8466     7.3019     6.8274     5.8514 
   C  37   10.0562     7.6282     6.6242     8.5643     7.4690     5.8579 
   C  38    6.1129     3.5072     2.8413     4.1309     3.0542     8.5409 
   C  39    4.2789     2.0601     2.5758     1.3137     0.6550    10.8215 
   C  40    4.6970     2.1332     2.0804     2.3386     1.2821    10.0405 
   C  41    4.5979     2.0466     1.2719     3.2378     2.1076    10.0945 
   C  42    3.8997     1.2992     1.3378     2.1000     0.9763    10.7685 
   C  43   16.5657    13.9504    13.3360    13.8550    13.0960     2.1488 

              C  31      C  32     Rh  33      O  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    2.1250     0.0000 
  Rh  33    6.4857     6.4734     0.0000 
   O  34    2.1611     2.1856     8.2877     0.0000 
   C  35    7.8762     8.0563     1.6381     9.7841     0.0000 
   C  36    4.7740     6.0340     3.8760     6.9342     4.3996     0.0000 
   C  37    6.0194     4.7500     3.8426     6.9337     5.3241     6.4209 
   C  38    8.0554     7.8764     1.6052     9.7873     1.3459     5.2892 
   C  39   10.1210    10.3520     3.9025    12.0658     2.2963     6.2166 
   C  40    9.4250     9.4859     3.0158    11.2902     1.5777     5.9051 
   C  41    9.6255     9.3917     3.1649    11.3382     2.2994     6.6579 
   C  42   10.1958    10.1601     3.7316    12.0183     2.4077     6.7574 
   C  43    2.4805     3.3200     8.9494     1.2635    10.3565     7.0528 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    4.4364     0.0000 
   C  39    7.3078     2.8744     0.0000 
   C  40    6.2266     1.7923     1.1136     0.0000 
   C  41    5.5965     1.5704     2.2783     1.3167     0.0000 
   C  42    6.6287     2.3090     1.2834     0.8525     1.1390     0.0000 
   C  43    8.0056    10.5041    12.6000    11.9030    12.0714    12.6686 

              C  43
              -----------
   C  43    0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   N   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   P   6    0.0000000000
   P   7    0.0000000000
   B   8    0.0000000000
   C   9    0.0000000000
   O  10    0.0000000000
   O  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   F  22    0.0000000000
   F  23    0.0000000000
   F  24    0.0000000000
   F  25    0.0000000000
   C  26    0.0000000000
   C  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
  Rh  33    0.0000000000
   O  34    0.0000000000
   C  35    0.0000000000
   C  36    0.0000000000
   C  37    0.0000000000
   C  38    0.0000000000
   C  39    0.0000000000
   C  40    0.0000000000
   C  41    0.0000000000
   C  42    0.0000000000
   C  43    0.0000000000


BOND ANGLES
   2    1    4   C2   C2   C2    107.223
   2    1    6   C2   C2    P    143.095
   4    1    6   C2   C2    P    109.681
   1    2    5   C2   C2   C2    106.522
   1    2    7   C2   C2    P    141.754
   5    2    7   C2   C2    P    111.723
   4    3    9   C2  Nam  Car    124.283
   4    3    5   C2  Nam   C2    111.434
   5    3    9   C2  Nam  Car    124.283
   1    4    3   C2   C2  Nam    107.060
   3    4   10  Nam   C2   O2    126.608
   1    4   10   C2   C2   O2    126.332
   2    5   11   C2   C2   O2    125.567
   2    5    3   C2   C2  Nam    107.761
   3    5   11  Nam   C2   O2    126.672
   1    6   12   C2    P   C3    124.721
   1    6   15   C2    P   C3    126.905
  12    6   15   C3    P   C3    108.374
   2    7   13   C2    P   C3    124.304
   2    7   14   C2    P   C3    128.246
  13    7   14   C3    P   C3    107.450
  22    8   23    F   B3    F     88.917
  22    8   24    F   B3    F    178.486
  22    8   25    F   B3    F     89.569
  23    8   24    F   B3    F     89.569
  23    8   25    F   B3    F    178.486
  24    8   25    F   B3    F     91.944
   3    9   20  Nam  Car  Car    119.939
   3    9   21  Nam  Car  Car    120.327
  20    9   21  Car  Car  Car    119.734
   6   12   19    P   C3   C3    107.776
   6   12   37    P   C3   C3    127.936
  19   12   37   C3   C3   C3    124.288
   7   13   16    P   C3   C3    107.586
   7   13   36    P   C3   C3    126.012
  16   13   36   C3   C3   C3    126.401
   7   14   17    P   C3   C3    107.616
   7   14   35    P   C3   C3    131.223
  17   14   35   C3   C3   C3    121.161
   6   15   18    P   C3   C3    109.080
   6   15   38    P   C3   C3    130.706
  18   15   38   C3   C3   C3    120.214
  13   16   17   C3   C3   C3    106.954
  14   17   16   C3   C3   C3    110.394
  15   18   19   C3   C3   C3    107.390
  12   19   18   C3   C3   C3    107.381
   9   20   32  Car  Car  Car    119.939
   9   21   31  Car  Car  Car    120.327
  27   26   42   C2   C2   C3     65.282
  26   27   41   C2   C2   C3    113.585
  29   28   39   C2   C2   C3     29.908
  28   29   40   C2   C2   C3    150.554
  31   30   34  Car  Car   O3    121.901
  31   30   32  Car  Car  Car    117.396
  32   30   34  Car  Car   O3    120.703
  21   31   30  Car  Car  Car    121.901
  20   32   30  Car  Car  Car    120.703
  30   34   43  Car   O3   C3    117.494
  28   39   42   C2   C3   C3    107.915
  29   40   41   C2   C3   C3    108.377
  27   41   40   C2   C3   C3    106.949
  26   42   39   C2   C3   C3    105.816


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
   7    2    1    4    179.974
   7    2    1    6      0.026
   9    3    4    1    179.974
   9    3    4   10      0.026
   5    3    4    1      0.026
   5    3    4   10    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
  10    4    1    2    179.974
  10    4    1    6      0.026
  11    5    2    1    179.974
  11    5    2    7      0.026
   3    5    2    1      0.026
   3    5    2    7    179.974
  12    6    1    2    179.974
  12    6    1    4      0.026
  15    6    1    2      0.026
  15    6    1    4    179.974
  13    7    2    1    179.974
  13    7    2    5      0.026
  14    7    2    1      0.026
  14    7    2    5    179.974
  20    9    3    4      0.026
  20    9    3    5    179.974
  21    9    3    4    179.974
  21    9    3    5      0.026
  19   12    6    1    179.974
  19   12    6   15      0.026
  37   12    6    1      0.026
  37   12    6   15    179.974
  16   13    7    2    179.974
  16   13    7   14      0.026
  36   13    7    2      0.026
  36   13    7   14    179.974
  17   14    7    2    179.974
  17   14    7   13      0.026
  35   14    7    2      0.026
  35   14    7   13    179.974
  18   15    6    1    179.974
  18   15    6   12      0.026
  38   15    6    1      0.026
  38   15    6   12    179.974
  17   16   13    7      0.026
  17   16   13   36    179.974
  16   17   14    7      0.026
  16   17   14   35    179.974
  19   18   15    6      0.026
  19   18   15   38    179.974
  18   19   12    6      0.026
  18   19   12   37    179.974
  32   20    9    3    179.974
  32   20    9   21      0.026
  31   21    9    3    179.974
  31   21    9   20      0.026
  41   27   26   42      0.026
  29   28   39   42      0.026
  40   29   28   39      0.026
  34   30   31   21    179.974
  32   30   31   21      0.026
  30   31   21    9      0.026
  30   32   20    9      0.026
  43   34   30   31      0.026
  43   34   30   32    179.974
  28   39   42   26      0.026
  29   40   41   27      0.026
  40   41   27   26      0.026
  39   42   26   27    179.974
   2    5    3    4      0.026
   2    5    3    9    179.974
  11    5    3    4    179.974
  11    5    3    9      0.026
  15   18   19   12      0.026
  13   16   17   14      0.026
  20   32   30   31      0.026
  20   32   30   34    179.974
  41   40   29   28    179.974


CHIRAL ATOMS
  41   40   29   28    179.974
  41   40   29   28    179.974
  41   40   29   28    179.974
  41   40   29   28    179.974
  41   40   29   28    179.974
  41   40   29   28    179.974