ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranoside | C29H34O17

5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID8969672

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-β-D-Galactopyranosyl-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-6,7-diméthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl-2-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Eupalitin 3-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449077/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 992.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.6±3.0 kJ/mol
Flash Point: 322.3±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.78
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 105.9±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

Click to predict properties on the Chemicalize site


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