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(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)benzyl(methyl)amine
(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)benzyl(methyl)amine
ID: BP-12190
CAS:490023-37-5
Supplier:BroadPharm

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SMILES:p1(oc2c(c3c(o1)ccc1c3cccc1)c1c(cc2)cccc1)N(Cc1ccccc1)C	
FORMULA: C28H22NO2P
MASS: 435.4535
EXACT MASS: 435.1388156
INTERATOMIC DISTANCES

              P   1      C   2      C   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   C   2    3.6936     0.0000 
   C   3    3.4125     1.0698     0.0000 
   O   4    1.2470     2.9818     2.4157     0.0000 
   O   5    2.0730     2.4157     2.7793     2.3159     0.0000 
   C   6    2.4115     2.0755     1.2508     1.2500     2.5716     0.0000 
   C   7    2.9783     1.2508     1.9407     2.6904     1.2500     2.3159 
   N   8    1.2500     4.9040     4.6625     2.4115     2.9783     3.6333 
   C   9    4.5390     1.9406     1.2507     3.4167     4.0228     2.1667 
   C  10    4.9193     1.2507     2.0755     4.2298     3.4167     3.2557 
   C  11    2.9900     3.1763     2.1655     1.7678     3.7359     1.2500 
   C  12    3.8277     2.1655     3.0899     3.8186     1.7678     3.5647 
   C  13    2.1654     5.4125     5.3973     3.4125     3.1378     4.5379 
   C  14    4.8711     3.0899     2.1654     3.6382     4.8504     2.5014 
   C  15    5.4755     2.1654     3.1763     5.0234     3.6382     4.2360 
   C  16    4.2303     3.5647     2.5000     2.9934     4.7342     2.1655 
   C  17    5.0205     2.5000     3.5647     4.8558     2.9934     4.3584 
   C  18    3.3074     6.6625     6.6266     4.5379     4.3711     5.7154 
   C  19    1.9852     5.5942     5.1318     2.7175     4.0137     3.9474 
   C  20    5.8022     2.1666     2.5259     4.9232     4.5432     3.7734 
   C  21    5.5791     2.3015     2.1666     4.5432     4.6892     3.3096 
   C  22    6.7252     3.3082     4.2359     6.2391     4.8750     5.3783 
   C  23    6.1136     4.1060     3.3082     4.8750     6.0561     3.7521 
   C  24    4.3309     7.3707     7.4830     5.5779     4.9772     6.6894 
   C  25    3.7500     7.3645     7.1625     4.8694     5.2336     6.1111 
   C  26    6.6918     3.5515     3.3096     5.5834     5.9281     4.3334 
   C  27    6.9941     3.3096     3.7734     6.1590     5.5834     5.0224 
   C  28    6.9213     4.2889     3.7521     5.7216     6.5181     4.5101 
   C  29    7.3959     3.7521     4.4743     6.7288     5.7216     5.7069 
   C  30    5.0000     8.6034     8.4125     6.1111     6.4295     7.3557 
   C  31    5.4492     8.6086     8.6870     6.6894     6.2226     7.8428 
   C  32    5.7284     9.1625     9.1022     6.9183     6.8558     8.1355 

              C   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    4.0704     0.0000 
   C   9    3.0848     5.7797     0.0000 
   C  10    2.1667     6.1085     2.3159     0.0000 
   C  11    3.5647     4.0405     2.5014     4.2360     0.0000 
   C  12    1.2500     4.7275     4.1061     2.5014     4.8141     0.0000 
   C  13    4.3711     1.2507     6.5959     6.5238     5.1406     4.7095 
   C  14    4.1061     6.0440     1.2500     3.5647     2.1667     5.2277 
   C  15    2.5014     6.5647     3.5647     1.2500     5.3303     2.1667 
   C  16    4.2958     5.2905     2.1654     4.3583     1.2508     5.5213 
   C  17    2.1655     5.9675     4.2958     2.1654     5.5702     1.2508 
   C  18    5.6117     2.1654     7.8099     7.7693     6.2047     5.8792 
   C  19    4.9618     1.2513     6.0988     6.8392     3.9606     5.7812 
   C  20    3.3096     7.0348     2.0755     1.2507     4.4743     3.7521 
   C  21    3.5515     6.8291     1.2507     1.9406     3.7521     4.2889 
   C  22    3.7521     7.8135     4.3583     2.1654     6.3998     3.3096 
   C  23    5.2250     7.2723     2.1654     4.2958     3.3096     6.2715 
   C  24    6.2226     3.3082     8.7055     8.3845     7.3000     6.2518 
   C  25    6.4295     2.5000     8.2695     8.5392     6.3617     6.8644 
   C  26    4.8019     7.9371     2.1667     3.0848     4.5101     5.5138 
   C  27    4.3334     8.2127     3.2557     2.1667     5.7069     4.5101 
   C  28    5.5138     8.1316     2.5014     4.1061     4.3334     6.3930 
   C  29    4.5101     8.5575     4.2360     2.5014     6.5603     4.3334 
   C  30    7.6427     3.7500     9.5163     9.7677     7.5651     8.0120 
   C  31    7.4695     4.3309     9.8976     9.6327     8.3696     7.4939 
   C  32    8.1017     4.5071    10.2640    10.2636     8.4864     8.2891 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    7.0241     0.0000 
   C  15    6.7553     4.8141     0.0000 
   C  16    6.3873     1.2507     5.5701     0.0000 
   C  17    5.9533     5.5213     1.2507     6.0638     0.0000 
   C  18    1.2500     8.1748     7.9646     7.4551     7.1088     0.0000 
   C  19    2.3113     6.1073     7.4550     5.1520     6.9928     2.7667 
   C  20    7.5791     3.1763     2.1654     4.2359     3.3082     8.8291 
   C  21    7.5324     2.1654     3.0899     3.3082     4.1060     8.7713 
   C  22    7.9743     5.5701     1.2507     6.4812     2.1666     9.1706 
   C  23    8.2706     1.2507     5.5213     2.1666     6.3970     9.4128 
   C  24    2.1654     9.1830     8.4062     8.5486     7.4200     1.2507 
   C  25    2.1654     8.4563     8.8713     7.5863     8.1117     1.2507 
   C  26    8.7067     2.5014     4.1061     3.7521     5.2250     9.9355 
   C  27    8.6835     4.2360     2.5014     5.3783     3.7521     9.9309 
   C  28    9.0355     2.1667     5.2277     3.3096     6.2715    10.2248 
   C  29    8.8587     5.3303     2.1667     6.3998     3.3096    10.0844 
   C  30    3.3074     9.6791    10.0593     8.7761     9.2510     2.1654 
   C  31    3.3074    10.3201     9.6516     9.6202     8.6509     2.1654 
   C  32    3.7500    10.5443    10.4122     9.7220     9.4920     2.5000 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.6251     0.0000 
   C  21    7.2554     1.0698     0.0000 
   C  22    8.7033     2.5000     3.5647     0.0000 
   C  23    7.2698     3.5647     2.5000     6.0638     0.0000 
   C  24    4.0151     9.5184     9.5774     9.5566    10.4312     0.0000 
   C  25    2.4881     9.5136     9.3291    10.1030     9.6583     2.1666 
   C  26    8.2581     1.9407     1.2508     4.2958     2.1655    10.7802 
   C  27    8.8497     1.2508     2.0755     2.1655     4.3584    10.5484 
   C  28    8.2644     3.0899     2.1655     5.5213     1.2508    11.1694 
   C  29    9.3338     2.1655     3.1763     1.2508     5.5702    10.5657 
   C  30    3.6319    10.7567    10.5791    11.2814    10.8705     2.5013 
   C  31    4.8085    10.7609    10.7987    10.7947    11.5626     1.2500 
   C  32    4.6534    11.3291    11.2563    11.5972    11.7632     2.1654 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   10.4312     0.0000 
   C  27   10.6718     2.3159     0.0000 
   C  28   10.5800     1.2500     3.5647     0.0000 
   C  29   10.9393     3.5647     1.2500     4.8141     0.0000 
   C  30    1.2500    11.6792    11.9077    11.8123    12.1480     0.0000 
   C  31    2.5013    11.9920    11.7972    12.3430    11.8127     2.1666 
   C  32    2.1654    12.4057    12.4272    12.6386    12.5502     1.2507 

              C  31      C  32
              ----------------------
   C  31    0.0000 
   C  32    1.2507     0.0000 



ATOMIC CHARGES
   P   1    0.3885405883
   C   2    0.0373296059
   C   3    0.0373296059
   O   4   -0.4251686588
   O   5   -0.4251686588
   C   6    0.1462162677
   C   7    0.1462162677
   N   8   -0.1890326420
   C   9    0.0030249695
   C  10    0.0030249695
   C  11    0.0373308663
   C  12    0.0373308663
   C  13    0.1083971477
   C  14    0.0001980367
   C  15    0.0001980367
   C  16    0.0031233531
   C  17    0.0031233531
   C  18   -0.0056806595
   C  19    0.0998488204
   C  20    0.0000996502
   C  21    0.0000996502
   C  22    0.0000025241
   C  23    0.0000025241
   C  24   -0.0029064276
   C  25   -0.0029064276
   C  26    0.0000012645
   C  27    0.0000012645
   C  28    0.0000000152
   C  29    0.0000000152
   C  30   -0.0002786349
   C  31   -0.0002786349
   C  32   -0.0000189187


BOND ANGLES
   4    1    5   O2    P   O2     84.569
   4    1    8   O2    P   N3    149.921
   5    1    8   O2    P   N3    125.509
   7    2   10  Car  Car  Car    120.037
   3    2    7  Car  Car  Car    113.270
   3    2   10  Car  Car  Car    126.692
   6    3    9  Car  Car  Car    120.037
   2    3    6  Car  Car  Car    126.690
   2    3    9  Car  Car  Car    113.273
   1    4    6    P   O2  Car    149.921
   1    5    7    P   O2  Car    125.509
   3    6    4  Car  Car   O2    150.020
   3    6   11  Car  Car  Car    119.980
   4    6   11   O2  Car  Car     90.000
   2    7    5  Car  Car   O2    150.020
   2    7   12  Car  Car  Car    119.980
   5    7   12   O2  Car  Car     90.000
   1    8   13    P   N3   C3    119.982
   1    8   19    P   N3   C3    105.054
  13    8   19   C3   N3   C3    134.964
   3    9   21  Car  Car  Car    120.035
   3    9   14  Car  Car  Car    119.982
  14    9   21  Car  Car  Car    119.982
   2   10   15  Car  Car  Car    119.982
   2   10   20  Car  Car  Car    120.035
  15   10   20  Car  Car  Car    119.982
   6   11   16  Car  Car  Car    119.980
   7   12   17  Car  Car  Car    119.980
   8   13   18   N3   C3  Car    119.982
  16   14   23  Car  Car  Car    120.035
   9   14   16  Car  Car  Car    119.982
   9   14   23  Car  Car  Car    119.982
  10   15   22  Car  Car  Car    119.982
  10   15   17  Car  Car  Car    119.982
  17   15   22  Car  Car  Car    120.035
  11   16   14  Car  Car  Car    120.037
  12   17   15  Car  Car  Car    120.037
  13   18   24   C3  Car  Car    119.982
  13   18   25   C3  Car  Car    119.982
  24   18   25  Car  Car  Car    120.035
  10   20   27  Car  Car  Car    120.037
   9   21   26  Car  Car  Car    120.037
  15   22   29  Car  Car  Car    120.037
  14   23   28  Car  Car  Car    120.037
  18   24   31  Car  Car  Car    119.982
  18   25   30  Car  Car  Car    119.982
  21   26   28  Car  Car  Car    119.980
  20   27   29  Car  Car  Car    119.980
  23   28   26  Car  Car  Car    119.980
  22   29   27  Car  Car  Car    119.980
  25   30   32  Car  Car  Car    119.982
  24   31   32  Car  Car  Car    119.982
  30   32   31  Car  Car  Car    120.035


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