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[(1R,2R,3S)-(+)-1,2-Dimethyl-2,3-bis(diphenylphosphinomethyl)cyclopentyl]methanol
[(1R,2R,3S)-(+)-1,2-Dimethyl-2,3-bis(diphenylphosphinomethyl)cyclopentyl]methanol 
ID: BP-12249
CAS:497262-02-9
Supplier:BroadPharm

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SMILES:[C@]1(CP(c2ccccc2)c2ccccc2)([C@@H](CP(c2ccccc2)c2ccccc2)CC[C@]1(CO)C)C	
FORMULA: C34H38OP2
MASS: 524.6124
EXACT MASS: 524.2397891
INTERATOMIC DISTANCES

              C   1      P   2      P   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   P   2    1.5100     0.0000 
   P   3    2.3586     2.7841     0.0000 
   C   4    0.8058     0.8957     2.0792     0.0000 
   C   5    1.5437     1.9298     0.8916     1.1877     0.0000 
   C   6    0.9000     1.9862     1.5364     1.0905     0.8863     0.0000 
   C   7    0.9003     2.2852     3.0087     1.7005     2.3070     1.4750 
   C   8    2.6791     3.4645     0.8925     2.6501     1.5473     1.7791 
   C   9    3.0910     3.1560     0.8926     2.6380     1.5473     2.3542 
   C  10    2.3106     0.9032     2.8881     1.5532     2.1834     2.5586 
   C  11    1.8177     0.9065     3.6104     1.5620     2.7277     2.5596 
   C  12    1.4491     2.8243     1.9600     1.9444     1.6514     0.9083 
   C  13    1.4309     2.9409     2.7746     2.1708     2.3067     1.4309 
   C  14    0.8759     1.0863     3.0363     1.0155     2.1545     1.7284 
   C  15    1.7335     2.9222     3.8780     2.4970     3.1882     2.3505 
   O  16    2.4589     3.7692     4.3370     3.2579     3.7657     2.8842 
   C  17    1.3477     2.2605     3.6819     1.9900     2.8906     2.1602 
   C  18    2.3586     3.4886     1.5416     2.6008     1.7809     1.5364 
   C  19    3.8855     4.0431     1.5438     3.4980     2.3586     3.0802 
   C  20    3.2089     2.8421     1.5375     2.5735     1.7773     2.6636 
   C  21    2.5842     1.5533     2.3390     1.7811     1.8593     2.5121 
   C  22    3.0660     1.5583     3.7698     2.3749     3.0848     3.4264 
   C  23    3.5666     4.2882     1.5437     3.5071     2.3586     2.6666 
   C  24    1.6212     1.5352     3.8297     1.7807     2.9446     2.5062 
   C  25    2.7056     1.5482     4.3314     2.3684     3.4759     3.4151 
   C  26    3.4878     2.3734     2.9219     2.6848     2.6373     3.3708 
   C  27    3.8642     2.3869     4.1599     3.1176     3.6122     4.1024 
   C  28    4.6326     4.5760     2.3578     4.1534     3.0889     3.8783 
   C  29    4.0815     3.5577     2.3519     3.4101     2.6699     3.5562 
   C  30    4.0899     5.0033     2.3604     4.1704     3.0910     3.2105 
   C  31    2.4590     2.3566     4.7237     2.6811     3.8415     3.3577 
   C  32    3.2803     2.3720     5.1416     3.1072     4.2657     4.0838 
   C  33    3.0910     4.3358     2.3559     3.4411     2.6735     2.3542 
   C  34    3.8855     5.0185     2.6714     4.1374     3.2119     3.0802 
   C  35    3.1795     2.6741     5.3042     3.2250     4.4127     4.0563 
   C  36    4.0258     2.6889     3.7909     3.2273     3.4167     4.0657 
   C  37    4.7119     4.3639     2.6679     4.1117     3.2090     4.0734 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.1049     0.0000 
   C   9    3.8243     1.5417     0.0000 
   C  10    3.1470     3.7014     2.9975     0.0000 
   C  11    2.3087     4.2116     4.0467     1.5707     0.0000 
   C  12    1.4669     1.7525     2.8518     3.4578     3.2639     0.0000 
   C  13    0.9153     2.6103     3.6577     3.7193     3.1407     0.8599 
   C  14    1.3255     3.4846     3.6485     1.9895     0.9998     2.3161 
   C  15    0.8813     3.9081     4.7033     3.8202     2.6930     2.1864 
   O  16    1.5588     4.1925     5.2067     4.6585     3.5746     2.4467 
   C  17    0.8332     3.8816     4.4376     3.1637     1.9542     2.2961 
   C  18    2.5386     0.8925     2.3559     3.9284     4.0955     1.0755 
   C  19    4.5515     1.7789     0.8875     3.8627     4.9318     3.4088 
   C  20    4.0481     2.3518     0.8889     2.4500     3.7471     3.3546 
   C  21    3.4815     3.2172     2.2403     0.8976     2.3856     3.4083 
   C  22    3.8301     4.5970     3.7982     0.9016     1.8051     4.3127 
   C  23    3.9662     0.8875     1.7789     4.4312     5.0680     2.5609 
   C  24    1.7564     4.2741     4.4174     2.3628     0.8752     3.0042 
   C  25    3.1735     5.0013     4.6527     1.7957     0.8902     4.1485 
   C  26    4.3852     3.8135     2.5546     1.5471     3.1178     4.2497 
   C  27    4.6719     5.0346     3.9945     1.5644     2.7100     5.0079 
   C  28    5.3529     2.6678     1.5416     4.2375     5.4814     4.2751 
   C  29    4.9326     3.0792     1.5375     3.0029     4.4443     4.2327 
   C  30    4.3257     1.5437     2.6714     5.2332     5.7253     2.8600 
   C  31    2.3674     5.1356     5.3175     3.0971     1.5264     3.7551 
   C  32    3.5503     5.7569     5.5176     2.6971     1.5453     4.7223 
   C  33    3.0675     1.5417     3.0834     4.8134     4.8840     1.6622 
   C  34    3.9370     1.7789     3.2086     5.3948     5.6391     2.5000 
   C  35    3.2234     5.8106     5.8007     3.2204     1.7676     4.5541 
   C  36    4.8969     4.6834     3.4533     1.7857     3.2410     4.9674 
   C  37    5.5155     3.2045     1.7753     3.8668     5.2630     4.6263 

              C  13      C  14      C  15      O  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.1410     0.0000 
   C  15    1.4030     1.8492     0.0000 
   O  16    1.5875     2.7127     0.8816     0.0000 
   C  17    1.7038     1.1743     0.7438     1.6236     0.0000 
   C  18    1.8736     3.2290     3.2508     3.4138     3.3628     0.0000 
   C  19    4.2571     4.4994     5.4176     5.8391     5.2199     2.6714 
   C  20    4.0754     3.5705     4.9225     5.5389     4.5313     3.0791 
   C  21    3.8637     2.5517     4.2633     5.0390     3.6909     3.6303 
   C  22    4.4961     2.5550     4.3969     5.2667     3.6859     4.8264 
   C  23    3.3997     4.3676     4.7436     4.9561     4.7562     1.5437 
   C  24    2.6633     0.7962     1.9226     2.7947     1.1831     3.9746 
   C  25    4.0241     1.8851     3.4638     4.3385     2.7211     4.9501 
   C  26    4.7501     3.4198     5.1621     5.9424     4.5747     4.3509 
   C  27    5.2813     3.4297     5.2780     6.1410     4.5766     5.3919 
   C  28    5.1151     5.1685     6.2283     6.6895     5.9790     3.5603 
   C  29    4.9659     4.3831     5.8038     6.4305     5.3888     3.8762 
   C  30    3.6147     4.9388     5.0128     5.0718     5.1502     1.7875 
   C  31    3.2745     1.6876     2.1991     2.9700     1.5890     4.7738 
   C  32    4.4533     2.4067     3.6258     4.4536     2.9231     5.6134 
   C  33    2.2366     3.9657     3.6303     3.5775     3.8981     0.8926 
   C  34    3.1220     4.7603     4.5175     4.4479     4.7697     1.5438 
   C  35    4.1376     2.3292     3.1009     3.8614     2.4766     5.5342 
   C  36    5.3780     3.7752     5.6014     6.4294     4.9493     5.1725 
   C  37    5.4226     5.1132     6.3964     6.9524     6.0493     4.0757 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.5416     0.0000 
   C  21    3.0661     1.5866     0.0000 
   C  22    4.6344     3.1444     1.5688     0.0000 
   C  23    1.5417     2.6678     3.8383     5.3089     0.0000 
   C  24    5.2782     4.2747     3.0885     2.6802     5.1588     0.0000 
   C  25    5.5384     4.2152     2.6931     1.5528     5.8344     1.5441 
   C  26    3.2371     1.7049     0.9037     1.7968     4.3006     3.8923 
   C  27    4.7509     3.2098     1.8213     0.9049     5.6536     3.5851 
   C  28    0.8889     1.7875     3.3680     4.9082     2.3518     5.9231 
   C  29    1.7753     0.8926     2.1062     3.5316     3.2045     5.0488 
   C  30    2.3559     3.5603     4.6909     6.1235     0.8925     5.7102 
   C  31    6.1786     5.1549     3.8941     3.2197     6.0228     0.9004 
   C  32    6.4049     5.1097     3.5946     2.3749     6.6122     1.7943 
   C  33    3.2086     3.8762     4.5206     5.7090     1.7789     4.6664 
   C  34    3.0834     4.0757     4.9818     6.2963     1.5417     5.4883 
   C  35    6.6820     5.5121     4.0949     3.0854     6.6906     1.5596 
   C  36    4.1216     2.5988     1.5644     1.5502     5.1958     4.0921 
   C  37    1.5375     1.5438     2.9695     4.4186     3.0792     5.8170 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    3.2318     0.0000 
   C  27    2.3799     1.5649     0.0000 
   C  28    5.9957     3.2967     4.8608     0.0000 
   C  29    4.7984     1.8070     3.3651     1.5438     0.0000 
   C  30    6.5333     5.1858     6.5113     3.0791     4.0757     0.0000 
   C  31    1.7777     4.6442     4.1032     6.8199     5.9082     6.5366 
   C  32    0.9014     4.1126     3.1146     6.8860     5.6998     7.2676 
   C  33    5.7561     5.2262     6.2843     4.0757     4.6209     1.5438 
   C  34    6.4930     5.5916     6.7903     3.8762     4.7054     0.8926 
   C  35    1.5326     4.7259     3.8930     7.2485     6.1860     7.2653 
   C  36    3.1029     0.8988     0.8976     4.1170     2.5843     6.0787 
   C  37    5.6614     2.6867     4.2355     0.8926     0.8875     3.8762 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.5401     0.0000 
   C  33    5.4062     6.3713     0.0000 
   C  34    6.2551     7.1535     0.8875     0.0000 
   C  35    0.9018     0.8705     6.2155     7.0451     0.0000 
   C  36    4.7270     3.9093     6.0577     6.4621     4.6355     0.0000 
   C  37    6.6937     6.5626     4.7054     4.6209     7.0191     3.4265 

              C  37
              -----------
   C  37    0.0000 



ATOMIC CHARGES
   C   1    0.0072901649
   P   2   -0.0324954141
   P   3   -0.0324963029
   C   4    0.0294470913
   C   5    0.0293796973
   C   6    0.0053457690
   C   7    0.0310141078
   C   8   -0.0017415562
   C   9   -0.0017415562
   C  10   -0.0017415528
   C  11   -0.0017415528
   C  12    0.0004735973
   C  13    0.0025505306
   C  14    0.0004719541
   C  15    0.1819518880
   O  16   -0.2204280906
   C  17    0.0026204696
   C  18    0.0001977952
   C  19    0.0001977952
   C  20    0.0001977952
   C  21    0.0001977952
   C  22    0.0001977952
   C  23    0.0001977952
   C  24    0.0001977952
   C  25    0.0001977952
   C  26    0.0000311182
   C  27    0.0000311182
   C  28    0.0000311182
   C  29    0.0000311182
   C  30    0.0000311182
   C  31    0.0000311182
   C  32    0.0000311182
   C  33    0.0000311182
   C  34    0.0000023623
   C  35    0.0000023623
   C  36    0.0000023623
   C  37    0.0000023623


BOND ANGLES
   4    1    6   C3   C3   C3     79.272
   4    1    7   C3   C3   C3    170.695
   4    1   14   C3   C3   C3     74.163
   6    1    7   C3   C3   C3    110.033
   6    1   14   C3   C3   C3    153.435
   7    1   14   C3   C3   C3     96.532
   4    2   10   C3    P  Car    119.411
   4    2   11   C3    P  Car    120.152
  10    2   11  Car    P  Car    120.438
   5    3    8   C3    P  Car    120.277
   5    3    9   C3    P  Car    120.274
   8    3    9  Car    P  Car    119.450
   1    4    2   C3   C3    P    125.022
   3    5    6    P   C3   C3    119.579
   1    6    5   C3   C3   C3    119.579
   5    6   12   C3   C3   C3    133.899
   1    6   12   C3   C3   C3    106.522
   1    7   13   C3   C3   C3    104.016
   1    7   15   C3   C3   C3    153.314
   1    7   17   C3   C3   C3    101.989
  13    7   15   C3   C3   C3    102.670
  13    7   17   C3   C3   C3    153.995
  15    7   17   C3   C3   C3     51.325
   3    8   18    P  Car  Car    119.446
   3    8   23    P  Car  Car    120.277
  18    8   23  Car  Car  Car    120.277
   3    9   19    P  Car  Car    120.274
   3    9   20    P  Car  Car    119.313
  19    9   20  Car  Car  Car    120.413
   2   10   21    P  Car  Car    119.215
   2   10   22    P  Car  Car    119.410
  21   10   22  Car  Car  Car    121.375
   2   11   24    P  Car  Car    118.994
   2   11   25    P  Car  Car    119.004
  24   11   25  Car  Car  Car    122.001
   6   12   13   C3   C3   C3    108.017
   7   13   12   C3   C3   C3    111.412
   7   15   16   C3   C3   O3    124.307
   8   18   33  Car  Car  Car    119.450
   9   19   28  Car  Car  Car    120.413
   9   20   29  Car  Car  Car    119.313
  10   21   26  Car  Car  Car    118.388
  10   22   27  Car  Car  Car    119.989
   8   23   30  Car  Car  Car    120.277
  11   24   31  Car  Car  Car    118.547
  11   25   32  Car  Car  Car    119.192
  21   26   36  Car  Car  Car    120.430
  22   27   36  Car  Car  Car    118.636
  19   28   37  Car  Car  Car    119.313
  20   29   37  Car  Car  Car    120.274
  23   30   34  Car  Car  Car    119.450
  24   31   35  Car  Car  Car    119.853
  25   32   35  Car  Car  Car    119.742
  18   33   34  Car  Car  Car    120.274
  30   34   33  Car  Car  Car    120.274
  31   35   32  Car  Car  Car    120.664
  26   36   27  Car  Car  Car    121.183
  28   37   29  Car  Car  Car    120.274


TORSION ANGLES
  10    2    4    1    179.974
  11    2    4    1      0.026
   8    3    5    6      0.026
   9    3    5    6    179.974
   2    4    1    6    179.974
   2    4    1    7      0.026
   2    4    1   14      0.026
   1    6    5    3    179.974
  12    6    5    3      0.026
   5    6    1    4      0.026
   5    6    1    7    179.974
   5    6    1   14      0.026
  12    6    1    4    179.974
  12    6    1    7      0.026
  12    6    1   14    179.974
  13    7    1    4    179.974
  13    7    1    6      0.026
  13    7    1   14    179.974
  15    7    1    4      0.026
  15    7    1    6    179.974
  15    7    1   14      0.026
  17    7    1    4      0.026
  17    7    1    6    179.974
  17    7    1   14      0.026
  18    8    3    5      0.026
  18    8    3    9    179.974
  23    8    3    5    179.974
  23    8    3    9      0.026
  19    9    3    5    179.974
  19    9    3    8      0.026
  20    9    3    5      0.026
  20    9    3    8    179.974
  21   10    2    4      0.026
  21   10    2   11    179.974
  22   10    2    4    179.974
  22   10    2   11      0.026
  24   11    2    4      0.026
  24   11    2   10    179.974
  25   11    2    4    179.974
  25   11    2   10      0.026
  13   12    6    5    179.974
  13   12    6    1      0.026
  12   13    7    1      0.026
  12   13    7   15    179.974
  12   13    7   17    179.974
  16   15    7    1    179.974
  16   15    7   13      0.026
  16   15    7   17    179.974
  33   18    8    3    179.974
  33   18    8   23      0.026
  28   19    9    3    179.974
  28   19    9   20      0.026
  29   20    9    3    179.974
  29   20    9   19      0.026
  26   21   10    2    179.974
  26   21   10   22      0.026
  27   22   10    2    179.974
  27   22   10   21      0.026
  30   23    8    3    179.974
  30   23    8   18      0.026
  31   24   11    2    179.974
  31   24   11   25      0.026
  32   25   11    2    179.974
  32   25   11   24      0.026
  36   26   21   10      0.026
  36   27   22   10      0.026
  37   28   19    9      0.026
  37   29   20    9      0.026
  34   30   23    8      0.026
  35   31   24   11      0.026
  35   32   25   11      0.026
  34   33   18    8      0.026
  30   34   33   18      0.026
  31   35   32   25      0.026
  26   36   27   22      0.026
  29   37   28   19      0.026
   7   13   12    6      0.026
  24   31   35   32      0.026
  21   26   36   27      0.026
  23   30   34   33      0.026
  20   29   37   28      0.026


CHIRAL ATOMS
  20   29   37   28      0.026
  20   29   37   28      0.026
  20   29   37   28      0.026