Molecule ID: 5460126

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

Description: The molecule is a D-glucuronate resulting from the deprotonation of the carboxy group of aldehydo-D-glucuronic acid; the major species at pH 7.3. It is a conjugate base of an aldehydo-D-glucuronic acid.

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

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

InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -1.9