Molecule ID: 5460352

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

Description: The molecule is a ketoaldonic acid and a hexonic acid. It has a role as an Escherichia coli metabolite. It derives from a D-gluconic acid. It is a conjugate acid of a 5-dehydro-D-gluconate. It is an enantiomer of a 5-dehydro-L-gluconic acid.

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

SELFIES: [O][=C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][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-/m1/s1

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