Molecule ID: 9548631

IUPAC Name: (3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate

Description: The molecule is conjugate base of 2,5-didehydro-D-gluconic acid. It derives from a D-gluconate. It is a conjugate base of a 2,5-didehydro-D-gluconic acid.

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

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

InChI: InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/p-1/t3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -1.8