tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)-6-phosphonatooxy-hexanoate

Systemtic Name: tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)-6-phosphonatooxy-hexanoate Openeye Name: tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonatooxy-hexanoate CAS Name: tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate IUPAC Name: tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate Traditional Name: tricalcium (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphato-hexanoate Formula: C12H20Ca3O20P2 MolecularWeight: 666.456722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H13O10P.3Ca/c2*7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;;/h2*2-5,7-10H,1H2,(H,11,12)(H2,13,14,15);;;/q;;3*+2/p-6/t2*2-,3-,4+,5-;;;/m11.../s1