Molecule ID: 23392971

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

Description: The molecule is a ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidised to the corresponding ketone. It has a role as a marine metabolite and a bacterial metabolite. It is a ketogluconic acid and a hexonic acid. It derives from a L-gluconic acid. It is a conjugate acid of a 5-dehydro-L-gluconate. It is an enantiomer of a 5-dehydro-D-gluconic acid.

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

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

InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/t3-,4+,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -3.0