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(2R,4R)-(+)-2,4-Bis(diphenylphosphino)pentane
(2R,4R)-(+)-2,4-Bis(diphenylphosphino)pentane
ID: BP-12268
CAS:96183-46-9
Supplier:BroadPharm

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SMILES:P([C@@H](C[C@H](P(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1	
FORMULA: C29H30P2
MASS: 440.4960
EXACT MASS: 440.1822742
INTERATOMIC DISTANCES

              P   1      P   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   P   2    1.7917     0.0000 
   C   3    2.1290     1.1500     0.0000 
   C   4    1.1500     2.1290     1.7917     0.0000 
   C   5    1.8939     1.8979     1.0399     1.0327     0.0000 
   C   6    1.1748     2.5731     3.2109     2.2516     3.0687     0.0000 
   C   7    1.4661     3.2397     3.3330     1.6621     2.6948     1.5938 
   C   8    2.3125     1.0663     2.1969     3.0062     2.9463     2.6375 
   C   9    3.1526     1.3807     1.5873     3.2484     2.6268     3.9382 
   C  10    3.1611     1.8939     1.0327     2.7335     1.7917     4.2252 
   C  11    1.8939     3.1610     2.7334     1.0326     1.7833     2.7195 
   C  12    2.1130     3.5917     4.2119     3.0503     3.9702     1.0223 
   C  13    3.3602     1.9559     2.9534     4.0234     3.8417     3.5845 
   C  14    1.9584     1.6659     2.7699     2.9550     3.2389     1.8350 
   C  15    1.5668     2.1073     3.0463     2.7008     3.2469     1.0368 
   C  16    3.6785     1.9330     2.5375     4.0291     3.5568     4.2177 
   C  17    3.8793     2.2428     1.9005     3.6919     2.8407     4.8026 
   C  18    2.0522     3.8018     4.1420     2.6294     3.6474     1.4604 
   C  19    2.3069     3.9451     3.7547     1.9635     2.8908     2.6407 
   C  20    3.2048     4.9104     4.7587     2.9673     3.8854     3.2840 
   C  21    2.9702     4.1542     4.9529     4.0119     4.8638     1.7955 
   C  22    2.6100     2.9661     4.0089     3.7531     4.2938     1.8038 
   C  23    4.6845     2.9166     3.3480     4.9646     4.3876     5.2301 
   C  24    4.8407     3.1353     2.9003     4.6919     3.8301     5.7080 
   C  25    3.0267     4.7960     5.0699     3.4443     4.4770     2.4381 
   C  26    3.9460     2.8470     3.9216     4.7796     4.7425     3.8732 
   C  27    2.8487     2.6562     3.7854     3.9229     4.2690     2.3495 
   C  28    3.7211     3.1042     4.2508     4.7201     4.9063     3.3482 
   C  29    3.5031     5.2909     5.3539     3.5975     4.5977     3.2060 
   C  30    3.1431     3.8884     4.8531     4.2793     4.9808     2.0625 
   C  31    5.2036     3.4160     3.5128     5.2677     4.5223     5.9101 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.7508     0.0000 
   C   9    4.5708     1.7107     0.0000 
   C  10    4.3363     2.7686     1.4362     0.0000 
   C  11    1.4662     4.0083     4.2532     3.5750     0.0000 
   C  12    1.8377     3.5644     4.9495     5.2339     3.2498     0.0000 
   C  13    4.7895     1.0491     1.8692     3.2385     5.0382     4.4376 
   C  14    3.2186     1.0240     2.6935     3.5533     3.8394     2.6501 
   C  15    2.5548     1.8000     3.3456     3.9653     3.4294     1.8000 
   C  16    5.1434     1.6163     1.0329     2.4600     5.0591     5.1716 
   C  17    5.2006     2.7494     1.0428     1.1164     4.6083     5.8245 
   C  18    1.0513     4.0562     5.1803     5.1712     2.5107     1.0571 
   C  19    1.0476     4.6144     5.1795     4.6685     1.1649     2.7876 
   C  20    1.7800     5.5137     6.1707     5.6686     2.1250     3.1291 
   C  21    2.8960     3.8580     5.4321     5.9403     4.2959     1.0584 
   C  22    3.3966     2.3278     4.0253     4.8598     4.4334     2.0881 
   C  23    6.1467     2.6105     1.7608     3.0014     5.9851     6.1745 
   C  24    6.1884     3.4352     1.7877     2.0647     5.6038     6.7250 
   C  25    1.7822     5.0557     6.1713     6.0893     3.0761     1.7715 
   C  26    5.2779     1.8038     2.9002     4.2687     5.7547     4.5620 
   C  27    3.9086     1.7893     3.4889     4.5121     4.7407     2.8535 
   C  28    4.8826     2.0625     3.5634     4.8017     5.6087     3.8596 
   C  29    2.0585     5.7152     6.6291     6.3290     2.9471     2.7239 
   C  30    3.5087     3.3482     5.0280     5.7658     4.7736     1.7990 
   C  31    6.6292     3.3894     2.0586     2.8702     6.2436     6.8966 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7875     0.0000 
   C  15    2.6376     0.8504     0.0000 
   C  16    1.1545     2.6176     3.4163     0.0000 
   C  17    2.8367     3.7134     4.3157     1.7928     0.0000 
   C  18    5.0330     3.2953     2.4845     5.5917     5.9313     0.0000 
   C  19    5.6634     4.1956     3.5813     5.8781     5.6542     1.8125 
   C  20    6.5579     4.9946     4.2967     6.8403     6.6583     2.0720 
   C  21    4.5562     2.8444     2.0881     5.4619     6.3879     2.0505 
   C  22    2.8327     1.3381     1.0584     3.8416     5.0502     3.0429 
   C  23    1.9205     3.5835     4.4033     1.0167     2.0299     6.6084 
   C  24    3.2361     4.4485     5.1308     2.0830     1.0000     6.8912 
   C  25    6.0219     4.2664     3.4363     6.5958     6.8952     1.0041 
   C  26    1.0334     2.0647     2.8419     2.0911     3.8458     5.3264 
   C  27    2.0647     1.0334     1.3575     3.1451     4.5313     3.7282 
   C  28    1.7858     1.7711     2.3306     2.9388     4.5797     4.7409 
   C  29    6.7266     5.0309     4.2402     7.1754     7.2405     1.7659 
   C  30    3.8648     2.3357     1.8073     4.8798     6.0398     2.8560 
   C  31    2.8793     4.4057     5.1815     1.7986     1.7572     7.2127 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0041     0.0000 
   C  21    3.8333     4.0884     0.0000 
   C  22    4.4440     5.0383     1.8000     0.0000 
   C  23    6.8525     7.8253     6.4196     4.7409     0.0000 
   C  24    6.6542     7.6583     7.2184     5.7624     1.7923     0.0000 
   C  25    2.0720     1.8125     2.4950     3.8594     7.6125     7.8651 
   C  26    6.2338     7.0564     4.4375     2.6375     2.5938     4.1491 
   C  27    4.9385     5.6331     2.6500     0.8500     3.9852     5.1510 
   C  28    5.8986     6.6258     3.5650     1.8012     3.5831     5.0215 
   C  29    1.7892     1.0672     3.5180     4.7892     8.1853     8.2336 
   C  30    4.5248     4.9280     1.0243     1.0388     5.7774     6.7821 
   C  31    7.2184     8.2152     7.2471     5.6396     1.0406     1.0389 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    6.2692     0.0000 
   C  27    4.6089     1.7875     0.0000 
   C  28    5.6200     1.0388     1.0135     0.0000 
   C  29    1.0276     7.0791     5.4932     6.5063     0.0000 
   C  30    3.4595     3.5815     1.8291     2.6375     4.4661     0.0000 
   C  31    8.2102     3.6271     4.9270     4.5996     8.6875     6.6781 

              C  31
              -----------
   C  31    0.0000 



ATOMIC CHARGES
   P   1   -0.0328456946
   P   2   -0.0328456946
   C   3    0.0252260692
   C   4    0.0252260692
   C   5    0.0098132779
   C   6   -0.0017523464
   C   7   -0.0017523464
   C   8   -0.0017523464
   C   9   -0.0017523464
   C  10    0.0052978559
   C  11    0.0052978559
   C  12    0.0001976571
   C  13    0.0001976571
   C  14    0.0001976571
   C  15    0.0001976571
   C  16    0.0001976571
   C  17    0.0001976571
   C  18    0.0001976571
   C  19    0.0001976571
   C  20    0.0000311176
   C  21    0.0000311176
   C  22    0.0000311176
   C  23    0.0000311176
   C  24    0.0000311176
   C  25    0.0000311176
   C  26    0.0000311176
   C  27    0.0000311176
   C  28    0.0000023623
   C  29    0.0000023623
   C  30    0.0000023623
   C  31    0.0000023623


BOND ANGLES
   4    1    6   C3    P  Car    151.164
   4    1    7   C3    P  Car     77.857
   6    1    7  Car    P  Car     73.307
   3    2    8   C3    P  Car    164.821
   3    2    9   C3    P  Car     77.093
   8    2    9  Car    P  Car     87.728
   2    3    5    P   C3   C3    120.061
   2    3   10    P   C3   C3    120.292
   5    3   10   C3   C3   C3    119.647
   1    4    5    P   C3   C3    120.292
   1    4   11    P   C3   C3    120.295
   5    4   11   C3   C3   C3    119.413
   3    5    4   C3   C3   C3    119.647
   1    6   12    P  Car  Car    148.117
   1    6   15    P  Car  Car     89.996
  12    6   15  Car  Car  Car    121.888
   1    7   18    P  Car  Car    108.080
   1    7   19    P  Car  Car    132.485
  18    7   19  Car  Car  Car    119.435
   2    8   13    P  Car  Car    135.207
   2    8   14    P  Car  Car    105.664
  13    8   14  Car  Car  Car    119.129
   2    9   16    P  Car  Car    105.519
   2    9   17    P  Car  Car    135.012
  16    9   17  Car  Car  Car    119.469
   6   12   21  Car  Car  Car    119.281
   8   13   26  Car  Car  Car    120.028
   8   14   27  Car  Car  Car    120.843
   6   15   22  Car  Car  Car    118.832
   9   16   23  Car  Car  Car    118.426
   9   17   24  Car  Car  Car    122.105
   7   18   25  Car  Car  Car    120.223
   7   19   20  Car  Car  Car    120.342
  19   20   29  Car  Car  Car    119.469
  12   21   30  Car  Car  Car    119.481
  15   22   30  Car  Car  Car    119.030
  16   23   31  Car  Car  Car    121.906
  17   24   31  Car  Car  Car    119.035
  18   25   29  Car  Car  Car    120.723
  13   26   28  Car  Car  Car    119.030
  14   27   28  Car  Car  Car    119.828
  26   28   27  Car  Car  Car    121.142
  20   29   25  Car  Car  Car    119.808
  21   30   22  Car  Car  Car    121.489
  23   31   24  Car  Car  Car    119.059


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


CHIRAL ATOMS
  27   28   26   13      0.026
  27   28   26   13      0.026