Molecule ID: 49791981

IUPAC Name: 2-(1,2-dihydroxyethyl)-4,5-dioxofuran-3-olate

Description: The molecule is conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the C-2 position; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a dehydroascorbic acid.

SMILES: O=C1OC(C(O)CO)=C([O-])C1=O

SELFIES: [O][=C][O][C][Branch1][#Branch1][C][Branch1][C][O][C][O][=C][Branch1][C][O-1][C][Ring1][#Branch2][=O]

InChI: InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-9H,1H2/p-1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -0.6