ChemSpider 2D Image | 1-O-{2-[(3-Chloro-2-methylphenyl)amino]benzoyl}-beta-D-glucopyranuronic acid | C20H20ClNO8

1-O-{2-[(3-Chloro-2-methylphenyl)amino]benzoyl}-β-D-glucopyranuronic acid

  • Molecular FormulaC20H20ClNO8
  • Average mass437.828 Da
  • Monoisotopic mass437.087738 Da
  • ChemSpider ID57530568

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-O-{2-[(3-Chlor-2-methylphenyl)amino]benzoyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
1-O-{2-[(3-Chloro-2-methylphenyl)amino]benzoyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
Acide 1-O-{2-[(3-chloro-2-méthylphényl)amino]benzoyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[2-[(3-chloro-2-methylphenyl)amino]benzoate] [ACD/Index Name]
1-O-[2-(3-Chloro-2-methylanilino)benzoyl]-β-D-glucopyranuronic acid
77605-75-5 [RN]
Tolfenamic Acid Acyl-|A-D-Glucuronide
Tolfenamic Acid Acyl-β-D-Glucuronide
Tolfenamic Acid Acyl-β-D-Glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 278.2±5.0 cm3

Click to predict properties on the Chemicalize site


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