ChemSpider 2D Image | 5-(5,7-Dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl beta-D-glucopyranoside | C22H22O12

5-(5,7-Dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC22H22O12
  • Average mass478.403 Da
  • Monoisotopic mass478.111115 Da
  • ChemSpider ID29814500

  • 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, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-methoxy- [ACD/Index Name]
5-(5,7-Dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-(5,7-Dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-(5,7-dihydroxy-3-méthoxy-4-oxo-4H-chromén-2-yl)-2-hydroxyphényle [French] [ACD/IUPAC Name]
Quercetin 3-methyl ether 3'-glucoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 834.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 291.3±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.03
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement