o-Aminophenyl beta-D-glucopyranosiduronic acid

Base Information

• Chemical Name: o-Aminophenyl beta-D-glucopyranosiduronic acid
• CAS No.: 15959-03-2
• Molecular Formula: C12H15NO7
• Molecular Weight: 285.25
• European Community (EC) Number: 240-094-2
• DSSTox Substance ID: DTXSID10936129
• Nikkaji Number: J219.914I
• Wikidata: Q72440624
• Mol file: 15959-03-2.mol

Synonyms:2-aminophenylglucuronide;2-aminophenylglucuronide, (D)-isomer;ortho-aminophenol beta-glucuronide

Chemical Property of o-Aminophenyl beta-D-glucopyranosiduronic acid

Chemical Property:

• Boiling Point: 603.3 °C at 760 mmHg
• PKA: 2.75±0.70(Predicted)
• Flash Point: 318.7 °C
• PSA: 142.47000
• Density: 1.653g/cm³
• LogP: -0.87900
• Storage Temp.: -20°C Freezer
• Solubility.: Aqueous Acid (Slightly), Water (Sparingly, Heated, Sonicated)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 285.08485182
• Heavy Atom Count: 20
• Complexity: 353

Purity/Quality:

98%Min ^*data from raw suppliers

2-Aminophenyl b-D-glucuronide HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC=C(C(=C1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• Uses: A compound synthesized by the liver of mammalian and avian species.