trisodium (3R,4S,5R)-3,4,5-tris(oxidanyl)-6-phosphonatooxy-hexanoate

Systemtic Name: trisodium (3R,4S,5R)-3,4,5-tris(oxidanyl)-6-phosphonatooxy-hexanoate Openeye Name: trisodium (3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxy-hexanoate CAS Name: trisodium (3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate IUPAC Name: trisodium (3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate Traditional Name: trisodium (3R,4S,5R)-3,4,5-trihydroxy-6-phosphato-hexanoate Formula: C6H10Na3O9P MolecularWeight: 326.081271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O9P.3Na/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14;;;/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14);;;/q;3*+1/p-3/t3-,4-,6+;;;/m1.../s1