calcium (3S,4S,5R)-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexane-1,3-diolate

Systemtic Name: calcium (3S,4S,5R)-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexane-1,3-diolate Openeye Name: calcium (3S,4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxy-hexane-1,3-diolate CAS Name: calcium (3S,4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexane-1,3-diolate IUPAC Name: calcium (3S,4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexane-1,3-diolate Traditional Name: calcium (3S,4S,5R)-4,5-dihydroxy-2-keto-6-phosphonooxy-hexane-1,3-diolate Formula: C6H11CaO9P MolecularWeight: 298.197901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11O9P.Ca/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-6,9,11H,1-2H2,(H2,12,13,14);/q-2;+2/t4-,5-,6-;/m1./s1