ChemSpider 2D Image | 1-O-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]hexopyranuronic acid | C21H30O9

1-O-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]hexopyranuronic acid

  • Molecular FormulaC21H30O9
  • Average mass426.457 Da
  • Monoisotopic mass426.188995 Da
  • ChemSpider ID21896737

More details:

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

1-O-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]hexopyranuronic acid [ACD/IUPAC Name]
1-O-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[5-(2,5-diméthylphénoxy)-2,2-diméthylpentanoyl]hexopyranuronique [French] [ACD/IUPAC Name]
Hexopyranuronic acid, 1-O-[5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-oxopentyl]- [ACD/Index Name]
91683-38-4 [RN]
Gemfibrozil 1-O-β-Glucuronide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 208.4±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

Click to predict properties on the Chemicalize site


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