[2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonatooxy-hexyl] phosphate octahydrate

Systemtic Name: [2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonatooxy-hexyl] phosphate octahydrate Openeye Name: (2,3,4-trihydroxy-5-oxo-6-phosphonatooxy-hexyl) phosphate octahydrate CAS Name: (2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl) phosphate octahydrate IUPAC Name: (2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl) phosphate octahydrate Traditional Name: (2,3,4-trihydroxy-5-keto-6-phosphato-hexyl) phosphate octahydrate Formula: C6H26O20P2-4 MolecularWeight: 480.206162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].O.O.O.O.O.O.O.O

Isomeric SMILES

C(C(C(C(C(=O)COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].O.O.O.O.O.O.O.O

InChI

InChI=1S/C6H14O12P2.8H2O/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;;;;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);8*1H2/p-4