ChemSpider 2D Image | 1-O-({2-[(2,6-Dichlorophenyl)amino]phenyl}acetyl)-beta-D-mannopyranuronic acid | C20H19Cl2NO8

1-O-({2-[(2,6-Dichlorophenyl)amino]phenyl}acetyl)-β-D-mannopyranuronic acid

  • Molecular FormulaC20H19Cl2NO8
  • Average mass472.273 Da
  • Monoisotopic mass471.048767 Da
  • ChemSpider ID128925932

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-({2-[(2,6-Dichlorophenyl)amino]phenyl}acetyl)-β-D-mannopyranuronic acid [ACD/IUPAC Name]
1-O-({2-[(2,6-Dichlorphenyl)amino]phenyl}acetyl)-β-D-mannopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-(2-{2-[(2,6-dichlorophényl)amino]phényl}acétyl)-β-D-mannopyranuronique [French] [ACD/IUPAC Name]
β-D-Mannopyranuronic acid, 1-[2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate] [ACD/Index Name]
64118-81-6 [RN]
diclofenac acyl 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: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

Click to predict properties on the Chemicalize site


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