ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-6-yl beta-D-glucopyranoside | C23H24O13

2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-6-yl β-D-glucopyranoside

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID158646

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-3,7-dimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-3,7-diméthoxy-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
4H-1-BENZOPYRAN-4-ONE,2-(3,4-DIHYDROXYPHENYL)-6-(B-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3,7-DIMETHOXY-
64190-90-5 [RN]
Tomentin 6-glucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 866.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 298.2±27.8 °C
Index of Refraction: 1.730
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.48
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 107.1±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


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