ChemSpider 2D Image | 2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside | C23H24O12

2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID64892235

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-5-hydroxy-7,8-dimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 2-hydroxy-3-(5-hydroxy-7,8-diméthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 820.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 283.5±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.22
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.88
Polar Surface Area: 185 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site


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