Molecule ID: 439273

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

Description: The molecule is a derivative of L-gulonic acid having a keto group at the 3-position. It has a role as an Escherichia coli metabolite. It is a ketoaldonic acid and a hexonic acid. It derives from a L-gulonic acid. It is a conjugate acid of a 3-dehydro-L-gulonate.

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

SELFIES: [O][=C][Branch1][C][O][C@@H1][Branch1][C][O][C][=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/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -2.8