sodium (3S,4R,5R)-3,4,5-tris(oxidanyl)-2-oxidanylidene-6-phosphonatooxy-hexanoate hydrate

Systemtic Name: sodium (3S,4R,5R)-3,4,5-tris(oxidanyl)-2-oxidanylidene-6-phosphonatooxy-hexanoate hydrate Openeye Name: sodium (3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonatooxy-hexanoate hydrate CAS Name: sodium (3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonatooxyhexanoate hydrate IUPAC Name: sodium (3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonatooxyhexanoate hydrate Traditional Name: sodium (3S,4R,5R)-3,4,5-trihydroxy-2-keto-6-phosphato-hexanoate hydrate Formula: C6H10NaO11P-2 MolecularWeight: 312.100531

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)C(=O)[O-])O)O)O)OP(=O)([O-])[O-].O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C6H11O10P.Na.H2O/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15);;1H2/q;+1;/p-3/t2-,3-,4+;;/m1../s1