Molecule ID: 5460108

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

Description: The molecule is conjugate base of D-tagaturonic acid. It has a role as an Escherichia coli metabolite. It is a conjugate base of a D-tagaturonic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1/t3-,4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -2.3