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L-Mannose, 6-deoxy-
L-Mannose, 6-deoxy- ID: API-15094
CAS:3615-41-6
Supplier:APIchem

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SMILES:O[C@H]([C@@H](O)[C@@H](O)C=O)[C@@H](O)C	ChemMol.com
FORMULA: C6H12O5
MASS: 164.1565
EXACT MASS: 164.0684735
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.6457     0.0000 
   O   3    2.0000     3.0000     0.0000 
   O   4    1.7321     2.6458     3.6056     0.0000 
   O   5    3.6055     3.0000     5.1962     2.0000     0.0000 
   C   6    1.0000     1.7320     1.7321     2.0000     3.4641     0.0000 
   C   7    1.7320     1.0000     2.6458     1.7321     2.6458     1.0000 
   C   8    1.7320     2.0000     1.0001     3.0000     4.3589     1.0000 
   C   9    2.0000     1.7321     3.4642     1.0000     1.7320     1.7321 
   C  10    2.6457     1.7320     1.7321     3.6056     4.5826     1.7320 
   C  11    3.0000     2.0000     4.3590     1.7320     1.0000     2.6458 
   H  12    0.8743     2.2900     1.2347     2.3716     4.0130     0.6200 
   H  13    1.8397     0.8743     2.2146     2.2901     3.2380     0.8743 
   H  14    2.2901     2.3716     0.8743     3.6201     4.9340     1.6200 
   H  15    1.3800     1.8397     2.9436     0.8743     2.2901     1.2347 
   H  16    2.5121     1.1120     2.1115     3.1879     4.0019     1.5200 
   H  17    3.2380     1.8396     2.2901     4.0601     4.8212     2.2901 
   H  18    2.9083     2.3520     1.5201     4.0751     5.1724     2.1114 
   H  19    0.6200     3.1407     1.7733     2.2901     4.2100     1.4158 
   H  20    3.1408     0.6201     3.6201     2.8292     2.7430     2.2901 
   H  21    3.3533     1.7733     4.4727     2.2901     1.4158     2.8292 
   H  22    2.6200     3.3533     0.6200     4.2101     5.7415     2.2901 
   H  23    2.2901     3.1408     4.2101     0.6200     1.7732     2.6200 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0001     2.6458     0.0000 
   C  10    2.0000     1.0000     3.0000     0.0000 
   C  11    1.7321     3.4641     1.0000     3.6055     0.0000 
   H  12    1.6199     0.8743     2.2901     1.8397     3.2380     0.0000 
   H  13    0.6200     1.2347     1.6200     1.3800     2.2901     1.4158 
   H  14    2.2901     0.6201     3.2380     0.8743     4.0131     1.4158 
   H  15    0.8743     2.2146     0.6201     2.7430     1.6200     1.7320 
   H  16    1.4955     1.1766     2.4825     0.6200     3.0148     1.8332 
   H  17    2.3715     1.6200     3.3533     0.6200     3.8242     2.4522 
   H  18    2.5558     1.1766     3.5505     0.6200     4.2047     2.0437 
   H  19    2.2900     1.8397     2.6200     2.8292     3.6200     1.0000 
   H  20    1.4158     2.6200     1.8397     2.2901     1.7732     2.8736 
   H  21    1.8397     3.5191     1.4158     3.4849     0.6200     3.4457 
   H  22    3.1408     1.4158     4.0131     1.8397     4.8708     1.8397 
   H  23    2.2901     3.6200     1.4158     4.2100     1.8397     2.9788 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.7321     0.0000 
   H  15    1.4158     2.8292     0.0000 
   H  16    0.8982     1.3471     2.3136     0.0000 
   H  17    1.7732     1.4158     3.1864     0.8768     0.0000 
   H  18    1.9418     0.6950     3.2349     1.2400     0.8768     0.0000 
   H  19    2.2901     2.2901     2.0000     2.8250     3.4458     2.9660 
   H  20    1.4674     2.9789     2.1302     1.6779     2.2901     2.9056 
   H  21    2.2901     4.0131     2.0033     2.8694     3.6055     4.1017 
   H  22    2.6458     1.0000     3.5191     2.3470     2.2901     1.4245 
   H  23    2.8736     4.2400     1.4674     3.7711     4.6468     4.6900 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    3.6739     0.0000 
   H  21    3.9665     1.3800     0.0000 
   H  22    2.3716     3.9666     4.9340     0.0000 
   H  23    2.8059     3.2380     2.4522     4.8185     0.0000 



ATOMIC CHARGES
   O   1   -0.3865790315
   O   2   -0.3861449834
   O   3   -0.3894222753
   O   4   -0.3819009066
   O   5   -0.2981995526
   C   6    0.1093588082
   C   7    0.1157898535
   C   8    0.0807886642
   C   9    0.1381434895
   C  10   -0.0364234870
   C  11    0.1512095486
   H  12    0.0645843875
   H  13    0.0650199371
   H  14    0.0616997879
   H  15    0.0696835524
   H  16    0.0255266933
   H  17    0.0255266933
   H  18    0.0255266933
   H  19    0.2100020791
   H  20    0.2100177826
   H  21    0.1054605073
   H  22    0.2098773733
   H  23    0.2104543852


BOND ANGLES
   6    1   19   C3   O3   HO    120.002
   7    2   20   C3   O3   HO    119.997
   8    3   22   C3   O3   HO    120.000
   9    4   23   C3   O3   HO    120.002
   1    6    7   O3   C3   C3    120.001
   1    6    8   O3   C3   C3    120.001
   1    6   12   O3   C3   HC     59.998
   7    6    8   C3   C3   C3    119.999
   7    6   12   C3   C3   HC    179.974
   8    6   12   C3   C3   HC     60.002
   2    7    6   O3   C3   C3    120.001
   2    7    9   O3   C3   C3    119.998
   2    7   13   O3   C3   HC     59.998
   6    7    9   C3   C3   C3    120.001
   6    7   13   C3   C3   HC     60.002
   9    7   13   C3   C3   HC    179.974
   3    8    6   O3   C3   C3    120.001
   3    8   10   O3   C3   C3    119.998
   3    8   14   O3   C3   HC     59.995
   6    8   10   C3   C3   C3    120.001
   6    8   14   C3   C3   HC    179.974
  10    8   14   C3   C3   HC     60.003
   4    9    7   O3   C3   C3    119.998
   4    9   11   O3   C3   C2    120.001
   4    9   15   O3   C3   HC     60.003
   7    9   11   C3   C3   C2    120.001
   7    9   15   C3   C3   HC     59.995
  11    9   15   C2   C3   HC    179.974
   8   10   16   C3   C3   HC     90.000
   8   10   17   C3   C3   HC    179.974
   8   10   18   C3   C3   HC     90.000
  16   10   17   HC   C3   HC     90.000
  16   10   18   HC   C3   HC    179.974
  17   10   18   HC   C3   HC     90.000
   5   11    9   O2   C2   C3    119.999
   5   11   21   O2   C2   HC    120.001
   9   11   21   C3   C2   HC    120.001


TORSION ANGLES
   7    6    1   19    179.974
   8    6    1   19      0.026
  12    6    1   19      0.026
   6    7    2   20    179.974
   9    7    2   20      0.026
  13    7    2   20    179.974
   6    8    3   22    179.974
  10    8    3   22      0.026
  14    8    3   22      0.026
   7    9    4   23    179.974
  11    9    4   23      0.026
  15    9    4   23    179.974
   1    6    7    2    179.974
   1    6    7    9      0.026
   1    6    7   13    179.974
   8    6    7    2      0.026
   8    6    7    9    179.974
   8    6    7   13      0.026
  12    6    7    2    179.974
  12    6    7    9      0.026
  12    6    7   13    179.974
   1    6    8    3      0.026
   1    6    8   10    179.974
   1    6    8   14      0.026
   7    6    8    3    179.974
   7    6    8   10      0.026
   7    6    8   14    179.974
  12    6    8    3      0.026
  12    6    8   10    179.974
  12    6    8   14      0.026
   2    7    9    4    179.974
   2    7    9   11      0.026
   2    7    9   15    179.974
   6    7    9    4      0.026
   6    7    9   11    179.974
   6    7    9   15      0.026
  13    7    9    4    179.974
  13    7    9   11      0.026
  13    7    9   15    179.974
   3    8   10   16    179.974
   3    8   10   17    180.000
   3    8   10   18      0.026
   6    8   10   16      0.026
   6    8   10   17    180.000
   6    8   10   18    179.974
  14    8   10   16    179.974
  14    8   10   17    180.000
  14    8   10   18      0.026
   4    9   11    5      0.026
   4    9   11   21    179.974
   7    9   11    5    179.974
   7    9   11   21      0.026
  15    9   11    5    179.974
  15    9   11   21      0.026


CHIRAL ATOMS
  15    9   11   21      0.026
  15    9   11   21      0.026
  15    9   11   21      0.026
  15    9   11   21      0.026