ChemSpider 2D Image | 5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate | C23H22O11

5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID58802239

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-7-[(6-methyl-D-glucopyranuronosyl)oxy]-2-phenyl- [ACD/Index Name]
5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl-methyl-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
82475-02-3 [RN]
Oroxylin A 7-O-β-D-glucuronide methyl ester

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 724.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.1±3.0 kJ/mol
    Flash Point: 251.2±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: 0.16
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.25
    ACD/KOC (pH 5.5): 38.16
    ACD/LogD (pH 7.4): -0.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.16
    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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