ChemSpider 2D Image | 5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl beta-L-glucopyranosiduronate | C23H22O11

5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl β-L-glucopyranosiduronate

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID82965276

  • 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-8-methoxy-7-[(6-methyl-β-L-glucopyranuronosyl)oxy]-2-phenyl- [ACD/Index Name]
5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl β-L-glucopyranosiduronate [ACD/IUPAC Name]
5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl-methyl-β-L-glucopyranosiduronat [German] [ACD/IUPAC Name]
82475-01-2 [RN]
Methyl (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 258.9±26.4 °C
Index of Refraction: 1.657
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 38.36
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.42
Polar Surface Area: 161 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


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