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

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

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID4955773
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl β-D-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-7-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
β-D-Galactopyranoside de 2-(3,4-dihydroxyphényl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-3-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE
56782-99-1 [RN]
q-Gal-glu
Quercetin 3-galactoside-7-glucoside
Quercetin-3-O-galactoside-7-O-glucoside

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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