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(S)-(+)-(2,6-Dimethyl-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
(S)-(+)-(2,6-Dimethyl-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
ID: BP-12207
CAS:185449-86-9
Supplier:BroadPharm

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SMILES:p1(oc2c(c3c(o1)c(cc1c3cccc1)C)c1c(cc2C)cccc1)N(C)C	
FORMULA: C24H22NO2P
MASS: 387.4107
EXACT MASS: 387.1388156
INTERATOMIC DISTANCES

              P   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.2508     0.0000 
   O   3    1.2507     1.7687     0.0000 
   C   4    2.2036     0.9984     2.3309     0.0000 
   C   5    2.4780     2.2697     1.4341     2.1884     0.0000 
   C   6    3.1606     2.1364     2.8032     1.2508     1.9377     0.0000 
   C   7    3.2029     2.4780     2.4848     1.8665     1.2508     0.9396 
   C   8    2.8762     1.6885     3.3997     1.2500     3.4381     2.1655 
   C   9    3.3641     3.4483     2.1273     3.4381     1.2500     3.0370 
   C  10    4.4222     3.7245     3.5726     3.0353     2.1667     1.8664 
   C  11    4.3061     3.1605     4.0511     2.1667     3.1232     1.2507 
   N  12    1.2500     2.4157     2.1654     3.4067     3.5685     4.4099 
   C  13    4.6860     3.4413     4.7472     2.5014     4.0970     2.1654 
   C  14    4.9732     4.5400     3.9029     4.0304     2.5014     2.9920 
   C  15    4.5401     4.4294     3.3334     4.1888     2.1655     3.4381 
   C  16    4.1015     2.8762     4.4842     2.1655     4.2210     2.5000 
   C  17    2.8090     2.0017     3.7272     2.1685     4.1948     3.3091 
   C  18    3.7491     4.2002     2.5422     4.4191     2.3051     4.2126 
   C  19    5.3263     4.2719     4.8508     3.3096     3.6625     2.1666 
   C  20    5.3261     4.4221     4.6449     3.5499     3.3096     2.3035 
   C  21    6.2227     5.7475     5.1491     5.1637     3.7521     4.0303 
   C  22    5.9332     4.6859     5.9816     3.7521     5.2418     3.3082 
   C  23    2.1634     2.9931     3.3055     3.9644     4.6355     5.1246 
   C  24    2.1654     3.4162     2.5000     4.3512     3.9044     5.1745 
   C  25    6.4512     5.3263     6.0645     4.3334     4.9101     3.3096 
   C  26    6.5085     5.6553     5.7324     4.7985     4.3334     3.5499 
   C  27    6.7108     5.4976     6.5501     4.5101     5.5804     3.7521 
   C  28    6.8948     6.2227     5.9438     5.4824     4.5101     4.2509 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.9921     0.0000 
   C   9    2.1655     4.6879     0.0000 
   C  10    1.2507     4.0304     2.5014     0.0000 
   C  11    1.9376     2.5014     4.0970     2.1884     0.0000 
   N  12    4.4227     3.8759     4.2322     5.6184     5.5416     0.0000 
   C  13    3.0369     2.1667     5.1906     3.4381     1.2500     5.8417 
   C  14    2.1654     5.1381     2.1667     1.2500     3.4381     6.0616 
   C  15    2.5000     5.4097     1.2508     2.1654     4.2210     5.4694 
   C  16    3.4381     1.2508     5.4347     4.1888     2.1654     5.1265 
   C  17    4.0332     1.2477     5.4163     5.1651     3.7491     3.4573 
   C  18    3.3843     5.6465     1.2463     3.7197     5.3218     4.2943 
   C  19    2.4182     3.7521     4.3454     1.9376     1.2507     6.5760 
   C  20    2.1666     4.2509     3.7521     1.2507     1.8664     6.5640 
   C  21    3.3082     6.1954     3.3096     2.1654     4.1888     7.3103 
   C  22    4.0970     3.3096     6.2606     4.2210     2.1654     7.0766 
   C  23    5.3216     4.0540     5.4188     6.5596     6.1260     1.2471 
   C  24    4.9778     5.0058     4.2087     6.0650     6.3832     1.2507 
   C  25    3.6625     4.5101     5.5804     3.1232     2.1667     7.6942 
   C  26    3.3096     5.4824     4.5101     2.1667     3.0353     7.7323 
   C  27    4.3454     4.3334     6.4262     4.0970     2.5014     7.9132 
   C  28    3.7521     6.3414     4.3334     2.5014     4.0304     8.0601 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.6879     0.0000 
   C  15    5.4347     1.2507     0.0000 
   C  16    1.2507     5.4097     5.9378     0.0000 
   C  17    3.3030     6.1982     6.3044     2.1584     0.0000 
   C  18    6.3778     3.1742     1.9831     6.5157     6.2013     0.0000 
   C  19    2.1654     3.0369     4.0970     3.3082     4.9997     5.5887 
   C  20    2.9920     2.1654     3.3082     4.0303     5.4811     4.9669 
   C  21    5.4097     1.2507     2.1666     6.2993     7.3158     4.1411 
   C  22    1.2507     5.4347     6.3421     2.1666     4.3250     7.4794 
   C  23    6.1844     7.1347     6.6385     5.2630     3.2642     5.5396 
   C  24    6.8461     6.2653     5.4513     6.2470     4.6922     3.9030 
   C  25    2.5014     4.0970     5.2418     3.7521     5.7269     6.8194 
   C  26    4.0304     2.5014     3.7521     5.1637     6.7194     5.6345 
   C  27    2.1667     5.1906     6.2606     3.3096     5.4454     7.6719 
   C  28    5.1381     2.1667     3.3096     6.1954     7.5425     5.2903 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    0.9396     0.0000 
   C  21    3.4381     2.5000     0.0000 
   C  22    2.5000     3.4381     5.9378     0.0000 
   C  23    7.2640     7.3861     8.3847     7.3623     0.0000 
   C  24    7.2993     7.1423     7.4800     8.0951     2.1625     0.0000 
   C  25    1.2508     1.9377     4.2210     2.1655     8.2903     8.4821 
   C  26    1.8665     1.2508     2.1655     4.1888     8.5999     8.2289 
   C  27    2.1655     3.0370     5.4347     1.2508     8.3335     8.8357 
   C  28    2.9921     2.1655     1.2508     5.4097     9.0462     8.3776 

              C  25      C  26      C  27      C  28
              --------------------------------------------
   C  25    0.0000 
   C  26    2.1884     0.0000 
   C  27    1.2500     3.4381     0.0000 
   C  28    3.4381     1.2500     4.6879     0.0000 



ATOMIC CHARGES
   P   1    0.3882972006
   O   2   -0.4254985534
   O   3   -0.4254985534
   C   4    0.1421832604
   C   5    0.1421832604
   C   6    0.0370008402
   C   7    0.0370008402
   C   8    0.0125327655
   C   9    0.0125327655
   C  10    0.0030048075
   C  11    0.0030048075
   N  12   -0.1917425890
   C  13   -0.0001166974
   C  14   -0.0001166974
   C  15   -0.0012542524
   C  16   -0.0012542524
   C  17    0.0342173839
   C  18    0.0342173839
   C  19    0.0000993965
   C  20    0.0000993965
   C  21   -0.0000073807
   C  22   -0.0000073807
   C  23    0.0995599691
   C  24    0.0995599691
   C  25    0.0000012631
   C  26    0.0000012631
   C  27   -0.0000001081
   C  28   -0.0000001081


BOND ANGLES
   2    1    3   O2    P   O2     89.998
   2    1   12   O2    P   N3    150.020
   3    1   12   O2    P   N3    119.982
   1    2    4    P   O2  Car    156.732
   1    3    5    P   O2  Car    134.624
   2    4    6   O2  Car  Car    143.308
   2    4    8   O2  Car  Car     96.712
   6    4    8  Car  Car  Car    119.980
   3    5    7   O2  Car  Car    135.378
   3    5    9   O2  Car  Car    104.642
   7    5    9  Car  Car  Car    119.980
   4    6   11  Car  Car  Car    120.037
   4    6    7  Car  Car  Car    116.166
   7    6   11  Car  Car  Car    123.796
   5    7   10  Car  Car  Car    120.037
   5    7    6  Car  Car  Car    123.794
   6    7   10  Car  Car  Car    116.168
   4    8   16  Car  Car  Car    119.980
   4    8   17  Car  Car   C3    120.503
  16    8   17  Car  Car   C3    119.517
   5    9   15  Car  Car  Car    119.980
   5    9   18  Car  Car   C3    134.867
  15    9   18  Car  Car   C3    105.153
   7   10   14  Car  Car  Car    119.982
   7   10   20  Car  Car  Car    120.035
  14   10   20  Car  Car  Car    119.982
   6   11   19  Car  Car  Car    120.035
   6   11   13  Car  Car  Car    119.982
  13   11   19  Car  Car  Car    119.982
   1   12   23    P   N3   C3    120.077
   1   12   24    P   N3   C3    119.982
  23   12   24   C3   N3   C3    119.941
  16   13   22  Car  Car  Car    120.035
  11   13   16  Car  Car  Car    119.982
  11   13   22  Car  Car  Car    119.982
  10   14   21  Car  Car  Car    119.982
  10   14   15  Car  Car  Car    119.982
  15   14   21  Car  Car  Car    120.035
   9   15   14  Car  Car  Car    120.037
   8   16   13  Car  Car  Car    120.037
  11   19   25  Car  Car  Car    120.037
  10   20   26  Car  Car  Car    120.037
  14   21   28  Car  Car  Car    120.037
  13   22   27  Car  Car  Car    120.037
  19   25   27  Car  Car  Car    119.980
  20   26   28  Car  Car  Car    119.980
  22   27   25  Car  Car  Car    119.980
  21   28   26  Car  Car  Car    119.980


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