ChemSpider 2D Image | 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate | C22H20O11

5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate

  • Molecular FormulaC22H20O11
  • Average mass460.388 Da
  • Monoisotopic mass460.100555 Da
  • ChemSpider ID73987284

  • 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, 5,6-dihydroxy-7-[(6-methyl-D-glucopyranuronosyl)oxy]-2-phenyl- [ACD/Index Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl methyl D-glucopyranosiduronate [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-methyl-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
82475-03-4 [RN]
baicalin methyl ester
MFCD21333673

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 754.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±3.0 kJ/mol
    Flash Point: 265.0±26.4 °C
    Index of Refraction: 1.694
    Molar Refractivity: 108.4±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 0.51
    ACD/BCF (pH 5.5): 1.31
    ACD/KOC (pH 5.5): 38.38
    ACD/LogD (pH 7.4): -0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.64
    Polar Surface Area: 172 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 87.2±3.0 dyne/cm
    Molar Volume: 282.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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