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Zinc L-lactate
Zinc L-lactate ID: API-28946
CAS:103404-76-8
Supplier:APIchem

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SMILES:[Zn].OC(=O)C(O)C.OC(=O)C(O)C	ChemMol.com
FORMULA: C6H12O6Zn
MASS: 245.5359
EXACT MASS: 243.9925301
INTERATOMIC DISTANCES

             Zn   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
  Zn   1    0.0000 
   O   2    1.0001     0.0000 
   O   3    1.0000     1.7321     0.0000 
   O   4    3.4641     2.6457     4.3589     0.0000 
   O   5    3.4641     4.3590     2.6458     6.9282     0.0000 
   O   6    2.0000     1.7320     3.0000     2.0000     5.2915     0.0000 
   O   7    2.0000     3.0000     1.7320     5.2915     2.0000     3.4641 
   C   8    2.6458     1.7320     3.4641     1.0000     6.0828     1.7320 
   C   9    2.6457     3.4641     1.7320     6.0827     1.0001     4.5826 
   C  10    2.9999     3.6055     2.0000     6.2449     1.7321     5.0000 
   C  11    3.0000     2.0000     3.6055     1.7320     6.2450     2.6457 
   C  12    1.7320     2.6458     1.0000     5.1961     1.7321     3.6055 
   C  13    1.7321     1.0000     2.6458     1.7320     5.1962     1.0000 
   H  14    2.6009     1.8396     3.5191     0.8743     6.0634     1.2346 
   H  15    2.6008     3.5191     1.8396     6.0633     0.8744     4.4186 
   H  16    3.5505     2.5558     4.2047     1.5200     6.8485     2.9083 
   H  17    3.3533     2.3715     3.8242     2.2901     6.4222     3.2380 
   H  18    2.4825     1.4955     3.0148     2.1114     5.6451     2.5121 
   H  19    2.4824     3.0148     1.4955     5.6450     2.1115     4.4738 
   H  20    3.3532     3.8242     2.3715     6.4221     2.2901     5.3371 
   H  21    3.5504     4.2047     2.5558     6.8484     1.5201     5.5456 
   H  22    1.4158     0.6200     1.8397     2.8291     4.4727     2.2901 
   H  23    1.4158     1.8397     0.6200     4.4726     2.8292     3.3533 
   H  24    4.0131     3.1408     4.8708     0.6201     7.4716     2.6200 
   H  25    4.0130     4.8708     3.1408     7.4715     0.6200     5.8809 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.5826     0.0000 
   C   9    1.7320     5.1961     0.0000 
   C  10    2.6457     5.2915     1.0000     0.0000 
   C  11    5.0000     1.0000     5.2915     5.1961     0.0000 
   C  12    1.0000     4.3589     1.0000     1.7320     4.5826     0.0000 
   C  13    3.6055     1.0000     4.3589     4.5826     1.7320     3.4641 
   H  14    4.4186     0.6200     5.2330     5.4428     1.6200     4.3318 
   H  15    1.2346     5.2330     0.6200     1.6200     5.4428     0.8743 
   H  16    5.5456     1.1766     5.9014     5.8161     0.6200     5.1724 
   H  17    5.3371     1.6200     5.4428     5.2330     0.6200     4.8212 
   H  18    4.4738     1.1766     4.6841     4.5761     0.6200     4.0019 
   H  19    2.5121     4.6841     1.1766     0.6200     4.5761     1.5200 
   H  20    3.2380     5.4428     1.6200     0.6200     5.2330     2.2901 
   H  21    2.9083     5.9014     1.1766     0.6200     5.8161     2.1114 
   H  22    3.3533     1.8396     3.5191     3.4849     1.7732     2.8292 
   H  23    2.2901     3.5191     1.8396     1.7732     3.4849     1.4158 
   H  24    5.8809     1.4158     6.6018     6.7055     1.8397     5.7415 
   H  25    2.6200     6.6018     1.4158     1.8397     6.7055     2.2901 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    0.8743     0.0000 
   H  15    4.3318     5.1961     0.0000 
   H  16    2.1114     1.7346     6.0375     0.0000 
   H  17    2.2901     2.2400     5.6584     0.8768     0.0000 
   H  18    1.5200     1.7346     4.8544     1.2400     0.8768     0.0000 
   H  19    4.0019     4.8544     1.7346     5.1961     4.6179     3.9561 
   H  20    4.8212     5.6584     2.2400     5.8491     5.1961     4.6179 
   H  21    5.1724     6.0375     1.7346     6.4361     5.8491     5.1961 
   H  22    1.4158     2.1301     3.6793     2.3825     2.0000     1.1751 
   H  23    2.8292     3.6793     2.1301     4.1017     3.6055     2.8694 
   H  24    2.2901     1.4674     6.6131     1.4245     2.2901     2.3470 
   H  25    5.7415     6.6131     1.4674     7.3165     6.8428     6.0964 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    2.8694     3.6055     4.1017     0.0000 
   H  23    1.1751     2.0000     2.3825     1.7321     0.0000 
   H  24    6.0964     6.8428     7.3165     3.2380     4.9340     0.0000 
   H  25    2.3470     2.2901     1.4245     4.9340     3.2380     8.0021 

              H  25
              -----------
   H  25    0.0000 



ATOMIC CHARGES
  Zn   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000


BOND ANGLES
  13    2   22   C2   O3   HO    120.001
  12    3   23   C2   O3   HO    120.001
   8    4   24   C3   O3   HO    120.002
   9    5   25   C3   O3   HO    120.000
   4    8   11   O3   C3   C3    120.001
   4    8   13   O3   C3   C2    119.999
   4    8   14   O3   C3   HC     59.999
  11    8   13   C3   C3   C2    120.001
  11    8   14   C3   C3   HC    179.974
  13    8   14   C2   C3   HC     59.999
   5    9   10   O3   C3   C3    119.998
   5    9   12   O3   C3   C2    120.001
   5    9   15   O3   C3   HC     60.002
  10    9   12   C3   C3   C2    120.001
  10    9   15   C3   C3   HC    179.974
  12    9   15   C2   C3   HC     59.999
   9   10   19   C3   C3   HC     90.000
   9   10   20   C3   C3   HC    179.974
   9   10   21   C3   C3   HC     90.000
  19   10   20   HC   C3   HC     90.000
  19   10   21   HC   C3   HC    179.974
  20   10   21   HC   C3   HC     90.000
   8   11   16   C3   C3   HC     90.000
   8   11   17   C3   C3   HC    179.974
   8   11   18   C3   C3   HC     90.000
  16   11   17   HC   C3   HC     90.000
  16   11   18   HC   C3   HC    179.974
  17   11   18   HC   C3   HC     90.000
   3   12    7   O3   C2   O2    120.001
   3   12    9   O3   C2   C3    119.999
   7   12    9   O2   C2   C3    120.001
   2   13    6   O3   C2   O2    120.001
   2   13    8   O3   C2   C3    119.999
   6   13    8   O2   C2   C3    120.001


TORSION ANGLES
  22    2   13    6    179.974
  22    2   13    8      0.026
  23    3   12    7    179.974
  23    3   12    9      0.026
  24    4    8   11      0.026
  24    4    8   13    179.974
  24    4    8   14    179.974
  25    5    9   10      0.026
  25    5    9   12    179.974
  25    5    9   15    179.974
   4    8   11   16      0.026
   4    8   11   17    180.000
   4    8   11   18    179.974
  13    8   11   16    179.974
  13    8   11   17    180.000
  13    8   11   18      0.026
  14    8   11   16    180.000
  14    8   11   17    180.000
  14    8   11   18    180.000
   4    8   13    2    179.974
   4    8   13    6      0.026
  11    8   13    2      0.026
  11    8   13    6    179.974
  14    8   13    2    179.974
  14    8   13    6      0.026
   5    9   10   19    179.974
   5    9   10   20    180.000
   5    9   10   21      0.026
  12    9   10   19      0.026
  12    9   10   20    180.000
  12    9   10   21    179.974
  15    9   10   19    180.000
  15    9   10   20    180.000
  15    9   10   21    180.000
   5    9   12    3    179.974
   5    9   12    7      0.026
  10    9   12    3      0.026
  10    9   12    7    179.974
  15    9   12    3    179.974
  15    9   12    7      0.026


CHIRAL ATOMS
  15    9   12    7      0.026
  15    9   12    7      0.026