ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate | C21H19O12

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC21H19O12
  • Average mass463.369 Da
  • Monoisotopic mass463.088196 Da
  • ChemSpider ID128920617

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-(β-D-glucofuranosyloxy)-5-hydroxy-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-, ion(1-) [ACD/Index Name]
quercetin 3'-O-glucoside

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

Density:
Boiling Point: 916.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 322.3±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.18
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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