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D-2-Hydroxypentanedioic acid disodium salt
D-2-Hydroxypentanedioic acid disodium salt ID: API-28948
CAS:103404-90-6
Supplier:APIchem

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SMILES:[Na+].[Na+].O[C@H](CCC(=O)[O-])C(=O)[O-]	ChemMol.com
FORMULA: C5H6Na2O5
MASS: 192.0777
EXACT MASS: 192.0010619
INTERATOMIC DISTANCES

             Na   1     Na   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
  Na   1    0.0000 
  Na   2    6.9282     0.0000 
   O   3    3.0000     4.5826     0.0000 
   O   4    1.0000     6.0828     2.0000     0.0000 
   O   5    6.0828     1.0000     3.6055     5.1962     0.0000 
   O   6    2.0000     5.2915     2.6458     1.7320     4.5826     0.0000 
   O   7    5.2915     2.0000     3.6056     4.5826     1.7320     3.4642 
   C   8    3.4641     3.4641     1.7320     2.6458     2.6458     2.0000 
   C   9    2.6458     4.3589     1.0000     1.7321     3.4641     1.7321 
   C  10    4.3589     2.6458     2.0000     3.4641     1.7321     3.0000 
   C  11    1.7320     5.1962     1.7321     1.0000     4.3590     1.0000 
   C  12    5.1962     1.7320     3.0000     4.3590     1.0000     3.6056 
   H  13    3.1022     3.8917     2.0295     2.4060     3.1512     1.4333 
   H  14    3.8917     3.1022     2.3450     3.1512     2.4060     2.1944 
   H  15    2.2146     4.9340     0.8743     1.2347     4.0131     1.8397 
   H  16    4.8281     2.4060     2.1943     3.8917     1.4156     3.5888 
   H  17    4.0507     3.1512     1.4332     3.1022     2.1829     2.9561 
   H  18    3.6200     4.2029     0.6200     2.6200     3.2070     3.1408 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    3.0000     1.0000     0.0000 
   C  10    1.7321     1.0000     1.7320     0.0000 
   C  11    3.6056     1.7321     1.0001     2.6458     0.0000 
   C  12    1.0000     1.7321     2.6458     1.0001     3.4642     0.0000 
   H  13    2.1944     0.6199     1.0812     1.5967     1.4156     2.1829 
   H  14    1.4333     0.6199     1.5967     1.0812     2.1829     1.4156 
   H  15    3.6201     1.6200     0.6201     2.2901     0.8743     3.2380 
   H  16    2.0295     1.5967     2.1828     0.6199     3.1512     1.0812 
   H  17    2.3451     1.0812     1.4155     0.6199     2.4060     1.5968 
   H  18    3.4849     1.8397     1.4158     1.7732     2.2901     2.7431 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7970     0.0000 
   H  15    1.6309     2.2128     0.0000 
   H  16    2.2062     1.6887     2.6726     0.0000 
   H  17    1.6887     1.4514     1.8778     0.7970     0.0000 
   H  18    2.2860     2.3980     1.4674     1.7992     1.1541     0.0000 




ATOMIC CHARGES
  Na   1    0.0000000000
  Na   2    0.0000000000
   O   3    0.0000000000
   O   4   -0.5000000000
   O   5   -0.5000000000
   O   6   -0.5000000000
   O   7   -0.5000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   H  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000


BOND ANGLES
   9    3   18   C3   O3   HO    120.002
   9    8   10   C3   C3   C3    119.999
   9    8   13   C3   C3   HC     80.000
   9    8   14   C3   C3   HC    160.002
  10    8   13   C3   C3   HC    160.002
  10    8   14   C3   C3   HC     80.000
  13    8   14   HC   C3   HC     80.002
   3    9    8   O3   C3   C3    120.001
   3    9   11   O3   C3  Cac    119.998
   3    9   15   O3   C3   HC     60.003
   8    9   11   C3   C3  Cac    120.001
   8    9   15   C3   C3   HC    179.974
  11    9   15  Cac   C3   HC     59.995
   8   10   12   C3   C3  Cac    120.001
   8   10   16   C3   C3   HC    160.002
   8   10   17   C3   C3   HC     80.000
  12   10   16  Cac   C3   HC     79.997
  12   10   17  Cac   C3   HC    159.999
  16   10   17   HC   C3   HC     80.002
   4   11    6 O.co2  Cac O.co2    120.001
   4   11    9 O.co2  Cac   C3    120.001
   6   11    9 O.co2  Cac   C3    119.998
   5   12    7 O.co2  Cac O.co2    120.001
   5   12   10 O.co2  Cac   C3    120.001
   7   12   10 O.co2  Cac   C3    119.998


TORSION ANGLES
   8    9    3   18      0.026
  11    9    3   18    179.974
  15    9    3   18    179.974
  10    8    9    3      0.026
  10    8    9   11    179.974
  10    8    9   15    179.974
  13    8    9    3    179.974
  13    8    9   11      0.026
  13    8    9   15      0.026
  14    8    9    3    179.974
  14    8    9   11      0.026
  14    8    9   15      0.026
   9    8   10   12    179.974
   9    8   10   16      0.026
   9    8   10   17      0.026
  13    8   10   12      0.026
  13    8   10   16    179.974
  13    8   10   17    179.974
  14    8   10   12      0.026
  14    8   10   16    179.974
  14    8   10   17    179.974
   3    9   11    4      0.026
   3    9   11    6    179.974
   8    9   11    4    179.974
   8    9   11    6      0.026
  15    9   11    4      0.026
  15    9   11    6    179.974
   8   10   12    5    179.974
   8   10   12    7      0.026
  16   10   12    5      0.026
  16   10   12    7    179.974
  17   10   12    5      0.026
  17   10   12    7    179.974


CHIRAL ATOMS
  17   10   12    7    179.974