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tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate ID: API-9462
CAS:112741-50-1
Supplier:APIchem

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SMILES:C1C(=O)O[C@H]([C@H](N1C(=O)OC(C)(C)C)c1ccccc1)c1ccccc1	ChemMol.com
FORMULA: C21H23NO4
MASS: 353.4116
EXACT MASS: 353.1627082
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    1.4241     0.8209     0.0000 
   C   4    1.6458     1.4241     0.8208     0.0000 
   C   5    1.4241     1.6458     1.4241     0.8250     0.0000 
   N   6    0.8251     1.4314     1.6500     1.4314     0.8250     0.0000 
   O   7    1.4264     0.8248     1.4287     2.1793     2.4706     2.1826 
   C   8    2.1737     2.4684     2.1777     1.4300     0.8226     1.4213 
   C   9    2.8484     2.9676     2.4706     1.6499     1.4243     2.1751 
   C  10    3.5824     3.7700     3.2925     2.4718     2.1748     2.8451 
   C  11    3.7642     4.1119     3.7704     2.9699     2.4661     2.9584 
   C  12    3.2783     3.7623     3.5806     2.8495     2.1707     2.4532 
   C  13    2.4577     2.9595     2.8439     2.1757     1.4198     1.6327 
   C  14    2.4686     2.1755     1.4240     0.8228     1.4276     2.1826 
   C  15    2.9682     2.4670     1.6462     1.4273     2.1821     2.8587 
   C  16    3.7734     3.2912     2.4704     2.1800     2.8564     3.5958 
   C  17    4.1181     3.7724     2.9695     2.4723     2.9731     3.7798 
   C  18    3.7697     3.5849     2.8491     2.1763     2.4689     3.2939 
   C  19    2.9651     2.8476     2.1739     1.4235     1.6460     2.4710 
   C  20    1.4275     2.1834     2.4750     2.1885     1.4353     0.8250 
   O  21    1.6445     2.4695     2.9671     2.8559     2.1822     1.4246 
   O  22    2.1878     2.8657     2.9824     2.4887     1.6637     1.4343 
   C  23    2.8670     3.6073     3.7919     3.3176     2.4926     2.1922 
   C  24    3.6054     4.2991     4.3791     3.8014     2.9945     2.8677 
   C  25    2.9812     3.7879     4.1304     3.7913     2.9855     2.4804 
   C  26    3.6001     4.3719     4.6016     4.1417     3.3167     2.9804 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    3.2932     0.0000 
   C   9    3.7749     0.8237     0.0000 
   C  10    4.5838     1.4238     0.8219     0.0000 
   C  11    4.9366     1.6434     1.4250     0.8235     0.0000 
   C  12    4.5734     1.4195     1.6453     1.4277     0.8269     0.0000 
   C  13    3.7638     0.8180     1.4242     1.6457     1.4265     0.8205 
   C  14    2.8527     1.6541     1.4345     2.1861     2.8596     2.9728 
   C  15    2.9686     2.4802     2.1912     2.8659     3.6016     3.7814 
   C  16    3.7740     2.9803     2.4848     2.9866     3.7904     4.1300 
   C  17    4.3594     2.8643     2.1929     2.4893     3.3128     3.7898 
   C  18    4.2778     2.1842     1.4337     1.6600     2.4835     2.9800 
   C  19    3.5873     1.4337     0.8343     1.4376     2.1900     2.4796 
   C  20    2.8538     1.6502     2.4739     2.9679     2.8473     2.1662 
   O  21    2.9632     2.4705     3.2942     3.7707     3.5840     2.8414 
   O  22    3.6002     1.4362     2.1863     2.4701     2.1710     1.4102 
   C  23    4.2933     2.1962     2.8679     2.9770     2.4716     1.6449 
   C  24    5.0262     2.4940     2.9911     2.8685     2.1896     1.4410 
   C  25    4.3675     2.8633     3.5988     3.7768     3.2919     2.4651 
   C  26    5.0182     2.9912     3.6118     3.6085     2.9850     2.1943 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.4721     0.0000 
   C  15    3.2982     0.8261     0.0000 
   C  16    3.7812     1.4288     0.8242     0.0000 
   C  17    3.5997     1.6494     1.4290     0.8258     0.0000 
   C  18    2.8579     1.4251     1.6500     1.4319     0.8293     0.0000 
   C  19    2.1842     0.8216     1.4283     1.6505     1.4305     0.8228 
   C  20    1.4209     2.8629     3.6010     4.2917     4.3713     3.7819 
   O  21    2.1745     3.5934     4.2832     5.0149     5.1508     4.5885 
   O  22    0.8247     2.9880     3.7947     4.3793     4.3005     3.6043 
   C  23    1.4438     3.7988     4.6122     5.1713     5.0381     4.3016 
   C  24    1.6760     4.1481     4.9742     5.4355     5.1790     4.3877 
   C  25    2.1877     4.3759     5.1628     5.7859     5.7276     5.0253 
   C  26    2.2045     4.6131     5.4299     5.9714     5.8003     5.0396 

              C  19      C  20      O  21      O  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.9785     0.0000 
   O  21    3.7781     0.8203     0.0000 
   O  22    2.8700     0.8316     1.4313     0.0000 
   C  23    3.6145     1.4395     1.6599     0.8289     0.0000 
   C  24    3.8059     2.1935     2.4848     1.4334     0.8249     0.0000 
   C  25    4.2971     1.6554     1.4415     1.4271     0.8203     1.4248 
   C  26    4.3886     2.1885     2.1876     1.6530     0.8242     0.8330 

              C  25      C  26
              ----------------------
   C  25    0.0000 
   C  26    0.8138     0.0000 



ATOMIC CHARGES
   C   1    0.2068743791
   C   2    0.3378845251
   O   3   -0.4443960813
   C   4    0.2133561336
   C   5    0.1458698729
   N   6   -0.2293031867
   O   7   -0.2481701359
   C   8   -0.0003017162
   C   9   -0.0025465697
   C  10   -0.0002681610
   C  11   -0.0000186680
   C  12   -0.0002681610
   C  13   -0.0025465697
   C  14    0.0192878601
   C  15   -0.0007550625
   C  16   -0.0002083316
   C  17   -0.0000171408
   C  18   -0.0002083316
   C  19   -0.0007550625
   C  20    0.4053874226
   O  21   -0.2261764089
   O  22   -0.4417752740
   C  23    0.1378301094
   C  24    0.0437415195
   C  25    0.0437415195
   C  26    0.0437415195


BOND ANGLES
   2    1    6   C2   C3  Nam    120.335
   1    2    3   C3   C2   O3    119.829
   1    2    7   C3   C2   O2    119.673
   3    2    7   O3   C2   O2    120.498
   2    3    4   C2   O3   C3    120.339
   3    4   14   O3   C3  Car    120.088
   5    4   14   C3   C3  Car    120.080
   3    4    5   O3   C3   C3    119.832
   4    5    8   C3   C3  Car    120.433
   6    5    8  Nam   C3  Car    119.228
   4    5    6   C3   C3  Nam    120.338
   1    6    5   C3  Nam   C3    119.327
   1    6   20   C3  Nam   C2    119.786
   5    6   20   C3  Nam   C2    120.887
   5    8    9   C3  Car  Car    119.802
   5    8   13   C3  Car  Car    119.852
   9    8   13  Car  Car  Car    120.346
   8    9   10  Car  Car  Car    119.826
   9   10   11  Car  Car  Car    120.012
  10   11   12  Car  Car  Car    119.780
  11   12   13  Car  Car  Car    119.967
   8   13   12  Car  Car  Car    120.069
   4   14   19   C3  Car  Car    119.913
  15   14   19  Car  Car  Car    120.180
   4   14   15   C3  Car  Car    119.907
  14   15   16  Car  Car  Car    119.938
  15   16   17  Car  Car  Car    120.002
  16   17   18  Car  Car  Car    119.790
  17   18   19  Car  Car  Car    119.958
  14   19   18  Car  Car  Car    120.132
   6   20   21  Nam   C2   O2    119.957
   6   20   22  Nam   C2   O3    119.945
  21   20   22   O2   C2   O3    120.098
  20   22   23   C2   O3   C3    120.196
  22   23   24   O3   C3   C3    120.157
  22   23   25   O3   C3   C3    119.844
  22   23   26   O3   C3   C3    179.164
  24   23   25   C3   C3   C3    120.000
  24   23   26   C3   C3   C3     60.679
  25   23   26   C3   C3   C3     59.320


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


CHIRAL ATOMS
  20   22   23   26      0.026
  20   22   23   26      0.026