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

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

  • Molecular FormulaC20H19Cl2NO8
  • Average mass472.273 Da
  • Monoisotopic mass471.048767 Da
  • ChemSpider ID35518826

  • defined stereocentres - 4 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)-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-({2-[(2,6-Dichlorphenyl)amino]phenyl}acetyl)-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-(2-{2-[(2,6-dichlorophényl)amino]phényl}acétyl)-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 1-[2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate] [ACD/Index Name]
6-[2-[2-(2,6-Dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
64118-81-6 [RN]
Diclofenac acyl-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: 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

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