ChemSpider 2D Image | quercetin 7,4'-di-O-beta-D-glucoside | C27H30O17

quercetin 7,4'-di-O-β-D-glucoside

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID28650550

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-[7-(β-D-Glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[7-(β-D-Glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
42900-82-3 [RN]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5-dihydroxy- [ACD/Index Name]
quercetin 7,4'-di-O-β-D-glucoside
β-D-Glucopyranoside de 4-[7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
4-[7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Quercetin 4',7-diglucoside
quercetin 4',7-O-diglucoside
quercetin 4',7-O-β-D-diglucoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1017.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.7±3.0 kJ/mol
Flash Point: 335.7±27.8 °C
Index of Refraction: 1.752
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 116.7±3.0 dyne/cm
Molar Volume: 345.3±3.0 cm3

Click to predict properties on the Chemicalize site


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