Molecule ID: 54735473

IUPAC Name: [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate

Description: The molecule is an organophosphate oxoanion that is the trianion formed from L-ascorbic acid 6-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; principal species at pH 7.3. It is a carbohydrate acid derivative anion and an organophosphate oxoanion. It is a conjugate base of a L-ascorbic acid 6-phosphate.

SMILES: O=C1O[C@H]([C@@H](O)COP(=O)([O-])O)C([O-])=C1[O-]

SELFIES: [O][=C][O][C@H1][Branch1][#C][C@@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][Branch1][C][O-1][=C][Ring1][=C][O-1]

InChI: InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/p-3/t2-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -1.9