tetrasodium [(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonatooxy-pentyl] phosphate dihydrate

Systemtic Name: tetrasodium [(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonatooxy-pentyl] phosphate dihydrate Openeye Name: tetrasodium [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonatooxy-pentyl] phosphate dihydrate CAS Name: tetrasodium [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonatooxypentyl] phosphate dihydrate IUPAC Name: tetrasodium [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonatooxypentyl] phosphate dihydrate Traditional Name: tetrasodium [(2R,3R)-2,3-dihydroxy-4-keto-5-phosphato-pentyl] phosphate dihydrate Formula: C5H12Na4O13P2 MolecularWeight: 434.047582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O11P2.4Na.2H2O/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14;;;;;;/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14);;;;;2*1H2/q;4*+1;;/p-4/t3-,5-;;;;;;/m1....../s1