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(2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane
(2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane
ID: BP-12276
CAS:77876-39-2
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    4.3292     0.0000 
   C   3    3.3055     1.2507     0.0000 
   C   4    1.2471     3.3096     2.1667     0.0000 
   C   5    2.1625     2.1667     1.2508     1.2507     0.0000 
   C   6    1.2500     4.5060     3.7485     2.1634     2.4978     0.0000 
   C   7    1.2507     5.4485     4.3292     2.1625     3.3054     2.1654 
   C   8    4.5060     1.2500     2.1654     3.7521     2.5014     4.3292 
   C   9    5.4485     1.2507     2.1666     4.3333     3.3096     5.7281 
   C  10    3.7485     2.1654     1.2500     2.5014     2.1655     4.5057 
   C  11    2.1634     3.7521     2.5014     1.2500     2.1654     3.3061 
   C  12    2.1634     3.7521     3.3083     2.5000     2.1654     1.2471 
   C  13    2.1666     6.4958     5.4485     3.3054     4.3291     2.5013 
   C  14    2.1654     5.7281     4.5060     2.4978     3.7484     3.3074 
   C  15    3.7485     2.1654     2.5000     3.3083     2.1655     3.3055 
   C  16    5.7281     2.1654     3.3082     5.0027     3.7521     5.4485 
   C  17    2.1654     5.7281     4.9992     3.3055     3.7484     1.2507 
   C  18    6.4917     2.1625     3.3054     5.4485     4.3292     6.6110 
   C  19    5.7281     2.1654     2.5013     4.5100     3.7521     6.2499 
   C  20    4.5057     3.3074     3.7500     4.3309     3.3075     3.7485 
   C  21    6.2499     3.3074     4.3309     5.7306     4.5087     5.7281 
   C  22    3.3096     7.6049     6.4959     4.3292     5.4485     3.7521 
   C  23    3.3082     6.9603     5.7281     3.7484     4.9991     4.3309 
   C  24    3.3074     6.2499     5.7275     4.3288     4.5056     2.1654 
   C  25    7.6007     3.3054     4.3291     6.4958     5.4485     7.8036 
   C  26    6.9564     3.3055     3.7484     5.7281     4.9992     7.4970 
   C  27    3.3061     4.5087     4.3309     3.7500     3.3074     2.1634 
   C  28    3.7500     5.7275     5.4476     4.5061     4.3288     2.5000 
   C  29    7.8036     3.7484     4.5060     6.6150     5.7281     8.1943 
   C  30    5.7275     3.7500     4.5071     5.4501     4.3309     4.9992 
   C  31    3.7521     7.8077     6.6151     4.5060     5.7281     4.5087 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.7281     0.0000 
   C   9    6.4958     2.1654     0.0000 
   C  10    4.5060     3.3074     2.5013     0.0000 
   C  11    2.4978     4.5087     4.5100     2.1667     0.0000 
   C  12    3.3055     3.3096     5.0027     4.3309     3.7500     0.0000 
   C  13    1.2507     6.6150     7.6048     5.7281     3.7484     3.7484 
   C  14    1.2500     6.2499     6.6150     4.3292     2.1625     4.3288 
   C  15    4.9992     1.2507     3.3082     3.7500     4.3309     2.1667 
   C  16    6.9603     1.2507     2.5000     4.3309     5.7306     4.3333 
   C  17    2.5000     5.4485     6.9603     5.7275     4.3288     2.1625 
   C  18    7.6007     2.4978     1.2471     3.7484     5.7281     5.7281 
   C  19    6.6150     3.3074     1.2500     2.1666     4.3333     5.7306 
   C  20    5.7275     2.1654     4.3309     5.0000     5.4493     2.5014 
   C  21    7.5005     2.1654     3.7500     5.4492     6.6165     4.5100 
   C  22    2.1667     7.8077     8.6625     6.6151     4.5060     4.9992 
   C  23    2.1654     7.5005     7.8076     5.4485     3.3054     5.4476 
   C  24    3.7500     5.7281     7.5005     6.6138     5.4476     2.4978 
   C  25    8.6583     3.7484     2.1625     4.5060     6.6150     6.9603 
   C  26    7.8036     4.3288     2.1634     3.3054     5.4485     6.9596 
   C  27    4.3288     3.7521     5.7306     5.4493     5.0000     1.2500 
   C  28    4.5071     4.9992     6.9596     6.4943     5.7276     2.1634 
   C  29    8.7481     4.5056     2.4978     4.3291     6.4958     7.5005 
   C  30    6.9596     2.5000     4.5071     5.7284     6.4964     3.7521 
   C  31    2.5014     8.1982     8.7522     6.4959     4.3292     5.7275 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.1654     0.0000 
   C  15    5.7281     5.7275     0.0000 
   C  16    7.8076     7.5005     2.1666     0.0000 
   C  17    2.1654     3.7500     4.3292     6.4958     0.0000 
   C  18    8.6583     7.8036     3.7484     2.1634     7.8036     0.0000 
   C  19    7.8076     6.4958     4.3309     3.7500     7.5005     2.1634 
   C  20    6.2499     6.6138     1.2500     2.5013     4.5060     4.5056 
   C  21    8.1981     8.1973     2.5013     1.2500     6.6150     3.3061 
   C  22    1.2508     2.5014     6.9604     9.0160     3.3083     9.7617 
   C  23    2.5000     1.2507     6.9596     8.7512     4.5071     9.0120 
   C  24    3.3074     5.0000     4.5060     6.6150     1.2500     8.1943 
   C  25    9.7616     8.7481     4.9991     3.3055     9.0120     1.2507 
   C  26    9.0120     7.6007     5.4476     4.5061     8.7476     2.5000 
   C  27    4.5056     5.4476     2.5014     4.5100     2.4978     6.2499 
   C  28    4.3309     5.7284     3.7485     5.7281     2.1654     7.4970 
   C  29    9.9204     8.6583     5.7274     4.3288     9.4355     2.1654 
   C  30    7.5005     7.8061     2.1654     2.1654     5.7281     4.3288 
   C  31    2.1655     2.1667     7.5006     9.4394     4.3309     9.9205 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.4492     0.0000 
   C  21    5.0000     2.1666     0.0000 
   C  22    8.7522     7.5006     9.4394     0.0000 
   C  23    7.6048     7.8061     9.4384     2.1655     0.0000 
   C  24    8.1973     4.3292     6.4958     4.3309     5.7284     0.0000 
   C  25    2.4978     5.7274     4.3288    10.8250     9.9204     9.4355 
   C  26    1.2471     6.4943     5.7276     9.9205     8.6583     9.4351 
   C  27    6.6165     2.1667     4.3333     5.7275     6.4943     2.1625 
   C  28    7.8061     3.3055     5.4485     5.4501     6.6149     1.2507 
   C  29    2.1625     6.6137     5.4476    10.8969     9.7616     9.9983 
   C  30    5.7284     1.2507     1.2507     8.7513     9.0143     5.4485 
   C  31    8.6625     8.1974    10.0019     1.2500     1.2508     5.4493 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    2.1654     0.0000 
   C  27    7.5005     7.8061     0.0000 
   C  28    8.7476     9.0114     1.2471     0.0000 
   C  29    1.2500     1.2507     8.1973     9.4351     0.0000 
   C  30    5.4476     6.6135     3.3096     4.3292     6.4943     0.0000 
   C  31   10.8969     9.7617     6.6138     6.4964    10.8250     9.4385 

              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    120.077
   4    1    7   C3    P  Car    119.941
   6    1    7  Car    P  Car    119.982
   3    2    8   C3    P  Car    119.982
   3    2    9   C3    P  Car    120.035
   8    2    9  Car    P  Car    119.982
   2    3    5    P   C3   C3    120.037
   2    3   10    P   C3   C3    119.982
   5    3   10   C3   C3   C3    119.980
   1    4    5    P   C3   C3    119.941
   1    4   11    P   C3   C3    120.077
   5    4   11   C3   C3   C3    119.982
   3    5    4   C3   C3   C3    120.037
   1    6   12    P  Car  Car    120.077
   1    6   17    P  Car  Car    119.982
  12    6   17  Car  Car  Car    119.941
   1    7   13    P  Car  Car    120.035
   1    7   14    P  Car  Car    119.982
  13    7   14  Car  Car  Car    119.982
   2    8   15    P  Car  Car    119.982
   2    8   16    P  Car  Car    119.982
  15    8   16  Car  Car  Car    120.035
   2    9   18    P  Car  Car    119.941
   2    9   19    P  Car  Car    119.982
  18    9   19  Car  Car  Car    120.077
   6   12   27  Car  Car  Car    120.077
   7   13   22  Car  Car  Car    120.037
   7   14   23  Car  Car  Car    119.982
   8   15   20  Car  Car  Car    119.982
   8   16   21  Car  Car  Car    119.982
   6   17   24  Car  Car  Car    119.982
   9   18   25  Car  Car  Car    119.941
   9   19   26  Car  Car  Car    120.077
  15   20   30  Car  Car  Car    119.982
  16   21   30  Car  Car  Car    119.982
  13   22   31  Car  Car  Car    119.980
  14   23   31  Car  Car  Car    120.037
  17   24   28  Car  Car  Car    119.982
  18   25   29  Car  Car  Car    119.982
  19   26   29  Car  Car  Car    119.941
  12   27   28  Car  Car  Car    120.077
  24   28   27  Car  Car  Car    119.941
  25   29   26  Car  Car  Car    119.982
  20   30   21  Car  Car  Car    120.035
  22   31   23  Car  Car  Car    119.980


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


CHIRAL ATOMS
  21   30   20   15      0.026
  21   30   20   15      0.026