tetrasodium [(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-oxidanyl-3-phosphonatooxy-oxan-4-yl] phosphate

Systemtic Name: tetrasodium [(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-oxidanyl-3-phosphonatooxy-oxan-4-yl] phosphate Openeye Name: tetrasodium [(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-phosphonatooxy-tetrahydropyran-4-yl] phosphate CAS Name: tetrasodium [(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-phosphonatooxy-4-oxanyl] phosphate IUPAC Name: tetrasodium [(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-phosphonatooxyoxan-4-yl] phosphate Traditional Name: tetrasodium [(2S,3R,4R,5S,6R)-3-hydroxy-2-methoxy-6-methylol-5-phosphato-tetrahydropyran-4-yl] phosphate Formula: C7H12Na4O12P2 MolecularWeight: 442.069582

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CO[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+]

InChI

InChI=1S/C7H16O12P2.4Na/c1-16-7-4(9)6(19-21(13,14)15)5(3(2-8)17-7)18-20(10,11)12;;;;/h3-9H,2H2,1H3,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4/t3-,4-,5+,6-,7+;;;;/m1..../s1