ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-yl D-glucopyranoside | C27H30O17

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

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID58829727

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-yl D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-3-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
quercetin 3,7-O-diglucoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 1049.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.0±3.0 kJ/mol
Flash Point: 345.9±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 137.6±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

Click to predict properties on the Chemicalize site


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