ChemSpider 2D Image | 5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl alpha-D-glucopyranosiduronic acid | C22H20O11

5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl α-D-glucopyranosiduronic acid

  • Molecular FormulaC22H20O11
  • Average mass460.388 Da
  • Monoisotopic mass460.100555 Da
  • ChemSpider ID23340172

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(α-D-glucopyranuronosyloxy)-5-hydroxy-6-methoxy-2-phenyl- [ACD/Index Name]
5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-glucopyranosiduronique de 5-hydroxy-6-méthoxy-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464847/
oroxylin A 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: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 280.1±26.4 °C
Index of Refraction: 1.693
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 86.9±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement