calcium (2S,3R)-2,3,4-tris(oxidanyl)butanoate

Systemtic Name: calcium (2S,3R)-2,3,4-tris(oxidanyl)butanoate Openeye Name: calcium (2S,3R)-2,3,4-trihydroxybutanoate CAS Name: calcium (2S,3R)-2,3,4-trihydroxybutanoate IUPAC Name: calcium (2S,3R)-2,3,4-trihydroxybutanoate Traditional Name: calcium (2S,3R)-2,3,4-trihydroxybutyrate Formula: C8H14CaO10 MolecularWeight: 310.26876

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2]

Isomeric SMILES

C([C@H]([C@@H](C(=O)[O-])O)O)O.C([C@H]([C@@H](C(=O)[O-])O)O)O.[Ca+2]

InChI

InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m11./s1