ChemSpider 2D Image | catechol beta-D-glucuronide | C12H14O8

catechol β-D-glucuronide

  • Molecular FormulaC12H14O8
  • Average mass286.235 Da
  • Monoisotopic mass286.068878 Da
  • ChemSpider ID58827481

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

28623-57-6 [RN]
2-Hydroxyphenyl β-D-glucopyranosiduronic acid
2-Hydroxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Hydroxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 2-hydroxyphényle [French] [ACD/IUPAC Name]
catechol β-D-glucuronide
β-D-Glucopyranosiduronic acid, 2-hydroxyphenyl [ACD/Index Name]
2-hydroxyphenyl β-D-glucosiduronic acid
2-hydroxyphenyl β-D-glucuronide
2-Hydroxyphenyl-β-D-glucopyranosiduronic acid
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point: 596.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 232.3±23.6 °C
Index of Refraction: 1.680
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 100.2±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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