Molecule ID: 54689455

IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dihydrogen phosphate

Description: The molecule is an aldonolactone phosphate that is the 6-phosphate ester of L-ascorbic acid. It derives from a L-ascorbic acid. It is a conjugate acid of a L-ascorbate 6-phosphate(3-).

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

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

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)/t2-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -2.7