trisodium; hydron; [(2R,3S,4S)-3,4,5-tris(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate; octahydrate

Systemtic Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-tris(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate; octahydrate Openeye Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]methyl phosphate; octahydrate CAS Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)-2-oxolanyl]methyl phosphate; octahydrate IUPAC Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate; octahydrate Traditional Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphatomethyl)tetrahydrofuran-2-yl]methyl phosphate; octahydrate Formula: C6H27Na3O20P2 MolecularWeight: 550.183412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O12P2.3Na.8H2O/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;;;;;;;;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;;8*1H2/q;3*+1;;;;;;;;/p-3/t3-,4-,5+,6?;;;;;;;;;;;/m1.........../s1