Molecule ID: 130628

IUPAC Name: (2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acid

Description: The molecule is a monosaccharide sulfate that is D-glucuronic acid esterified at O-3 by sulfuric acid. It derives from an aldehydo-D-glucuronic acid.

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

SELFIES: [O][=C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H10O10S/c7-1-2(8)5(16-17(13,14)15)3(9)4(10)6(11)12/h1-5,8-10H,(H,11,12)(H,13,14,15)/t2-,3+,4-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 187.0 Ų
- LogP: -3.6