hexasodium 2-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonatooxy-oxan-2-yl]ethyl phosphate

Systemtic Name: hexasodium 2-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonatooxy-oxan-2-yl]ethyl phosphate Openeye Name: hexasodium 2-[(2S,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonatooxy-tetrahydropyran-2-yl]ethyl phosphate CAS Name: hexasodium 2-[(2S,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonatooxy-2-oxanyl]ethyl phosphate IUPAC Name: hexasodium 2-[(2S,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonatooxyoxan-2-yl]ethyl phosphate Traditional Name: hexasodium 2-[(2S,3S,4R,5R,6R)-3-hydroxy-6-methylol-4,5-diphosphato-tetrahydropyran-2-yl]ethyl phosphate Formula: C8H13Na6O15P3 MolecularWeight: 580.039723

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)([O-])[O-])C1C(C(C(C(O1)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C(COP(=O)([O-])[O-])[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H19O15P3.6Na/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13;;;;;;/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19);;;;;;/q;6*+1/p-6/t4-,5+,6-,7+,8+;;;;;;/m0....../s1