ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl beta-D-glucopyranosiduronate | C22H20O10

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

  • Molecular FormulaC22H20O10
  • Average mass444.388 Da
  • Monoisotopic mass444.105652 Da
  • ChemSpider ID62643198

  • 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 methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-[(6-methyl-β-D-glucopyranuronosyl)oxy]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 246.9±26.4 °C
Index of Refraction: 1.674
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.39
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.11
Polar Surface Area: 152 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 283.8±3.0 cm3

Click to predict properties on the Chemicalize site


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