ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-beta-D-glucopyranoside | C22H22O10

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID57620701

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-[(4-O-methyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
4-O-Méthyl-β-D-glucopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-4-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
950910-16-4 [RN]
4-methyloxy-genistin
4''-methyloxy-Genistin
7-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
MFCD28964210

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

Density: 1.6±0.1 g/cm3
Boiling Point: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 269.4±26.4 °C
Index of Refraction: 1.704
Molar Refractivity: 108.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.16
ACD/KOC (pH 5.5): 196.13
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.54
Polar Surface Area: 155 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site


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