Molecule ID: 102424

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

Description: The molecule is a ketoaldonic acid. It derives from a L-idonic acid and a L-gulonic acid. It is a conjugate acid of a 2-dehydro-L-idonate.

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