Molecule ID: 16069995

IUPAC Name: (3S,4R)-3,4,5-trihydroxy-2-oxopentanoate

Description: The molecule is a ketoaldonate and a member of xylonates. It derives from a D-xylonate. It is a conjugate base of a D-xylulosonic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/p-1/t2-,3+/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -1.6