Molecule ID: 194024

IUPAC Name: (4R,5R)-4,5,6-trihydroxy-2-oxohexanoic acid

Description: The molecule is the 2-dehydro-3-deoxy derivative of D-galactonic acid. It has a role as an Escherichia coli metabolite. It is a ketoaldonic acid and a hexonic acid. It derives from a galactonic acid. It is a conjugate acid of a 2-dehydro-3-deoxy-D-galactonate. It is an enantiomer of a 2-keto-3-deoxy-L-galactonic acid.

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

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

InChI: InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -2.3