Molecule ID: 49852306

IUPAC Name: [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxo-6-phosphonatooxyhexan-2-yl] phosphate

Description: The molecule is a quadruply-charged organophosphate oxoanion obtained via deprotonation of the phosphate OH groups of D-glucose 1,6-bisphosphate; major species at pH 7.3. It is a conjugate base of a D-glucose 1,6-bisphosphate.

SMILES: O=C[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]

SELFIES: [O][=C][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C6H14O12P2/c7-1-4(18-20(14,15)16)6(10)5(9)3(8)2-17-19(11,12)13/h1,3-6,8-10H,2H2,(H2,11,12,13)(H2,14,15,16)/p-4/t3-,4+,5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 223.0 Ų
- LogP: -5.9