3-Sulfoglucuronic acid

Base Information

• Chemical Name: 3-Sulfoglucuronic acid
• CAS No.: 110231-93-1
• Molecular Formula: C6H10 O10 S
• Molecular Weight: 274.2
• DSSTox Substance ID: DTXSID80911549
• Nikkaji Number: J2.550.820C
• Wikidata: Q27127168
• Metabolomics Workbench ID: 61044
• Mol file: 110231-93-1.mol

Synonyms:3-sulfoglucuronic acid;glucuronate 3-sulfate;glucuronic acid 3-sulfate

Chemical Property of 3-Sulfoglucuronic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 187.04000
• Density: 1.98g/cm³
• LogP: -2.37860
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 273.99946769
• Heavy Atom Count: 17
• Complexity: 369

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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