Indoxyl glucuronide

Base Information

• Chemical Name: Indoxyl glucuronide
• CAS No.: 35804-66-1
• Molecular Formula: C14H15NO7
• Molecular Weight: 309.27100
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID20957188
• Nikkaji Number: J486.490E
• Wikidata: Q72483216
• Metabolomics Workbench ID: 40875
• ChEMBL ID: CHEMBL2074589
• Mol file: 35804-66-1.mol

Synonyms:indoxyl glucuronide;indoxyl-beta-D-glucuronide

Chemical Property of Indoxyl glucuronide

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 8.25E-19mmHg at 25°C
• Boiling Point: 669oC at 760mmHg
• Flash Point: 358.4oC
• PSA: 132.24000
• Density: 1.693g/cm3
• LogP: -0.56110
• Storage Temp.: −20°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 309.08485182
• Heavy Atom Count: 22
• Complexity: 420

Purity/Quality:

98%, ^*data from raw suppliers

Indoxyl beta-D-Glucuronide Cyclohexylammonium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O