ChemSpider 2D Image | 2-Oxo-2H-chromen-7-yl D-glucopyranosiduronic acid | C15H14O9

2-Oxo-2H-chromen-7-yl D-glucopyranosiduronic acid

  • Molecular FormulaC15H14O9
  • Average mass338.266 Da
  • Monoisotopic mass338.063782 Da
  • ChemSpider ID18848281

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-(D-glucopyranuronosyloxy)- [ACD/Index Name]
2-Oxo-2H-chromen-7-yl D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Oxo-2H-chromen-7-yl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide D-glucopyranosiduronique de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
7-HYDROXYCOUMARIN-D5-GLUCURONIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 262.0±25.0 °C
Index of Refraction: 1.687
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -4.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 95.5±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site


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