ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-beta-D-glucopyranoside | C22H22O9

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID57620682
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-4-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-[(4-O-methyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
4-O-Méthyl-β-D-glucopyranoside de 3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
1195968-02-5 [RN]
4''-methyloxy-Daidzin
7-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl)oxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 249.6±26.4 °C
Index of Refraction: 1.681
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 110.13
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 109.52
Polar Surface Area: 135 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 281.3±5.0 cm3

Click to predict properties on the Chemicalize site






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