Molecule ID: 10198044

IUPAC Name: (3R,4S,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

Description: The molecule is a ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidized to a keto group. It has a role as a human metabolite. It is an enantiomer of an iduronic acid.

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

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

InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -2.9