ChemSpider 2D Image | QUERCETIN-3,4'-DI-O-GLUCOSIDE | C27H30O17

QUERCETIN-3,4'-DI-O-GLUCOSIDE

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID9390830

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

29125-80-2 [RN]
4-[3-(D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl D-glucopyranoside [ACD/IUPAC Name]
4-[3-(D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(D-glucopyranosyloxy)-2-[4-(D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
D-Glucopyranoside de 4-[3-(D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
QUERCETIN-3,4'-DI-O-GLUCOSIDE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344315/
Quercetin 3,4'-diglucoside [Wiki]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1029.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 339.3±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: -1.25
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): -3.21
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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