ChemSpider 2D Image | 1-O-{[2-(2,4-Dichlorophenoxy)phenyl]acetyl}-beta-D-glucopyranuronic acid | C20H18Cl2O9

1-O-{[2-(2,4-Dichlorophenoxy)phenyl]acetyl}-β-D-glucopyranuronic acid

  • Molecular FormulaC20H18Cl2O9
  • Average mass473.258 Da
  • Monoisotopic mass472.032776 Da
  • ChemSpider ID57422606

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-{[2-(2,4-Dichlorophenoxy)phenyl]acetyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-{[2-(2,4-Dichlorphenoxy)phenyl]acetyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{2-[2-(2,4-dichlorophénoxy)phényl]acétyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[2-[2-(2,4-dichlorophenoxy)phenyl]acetate] [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-(2-(2-(2,4-Dichlorophenoxy)phenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
77182-37-7 [RN]
Fenclofenac 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: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 288.0±5.0 cm3

Click to predict properties on the Chemicalize site


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