ChemSpider 2D Image | 6-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-deoxy-3-methyl-beta-D-glucopyranosiduronic acid | C22H20O10

6-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-deoxy-3-methyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC22H20O10
  • Average mass444.388 Da
  • Monoisotopic mass444.105652 Da
  • ChemSpider ID32697072

  • 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, 7-[(3-deoxy-3-methyl-β-D-glucopyranuronosyl)oxy]-6-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-deoxy-3-methyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
6-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-3-desoxy-3-methyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 3-désoxy-3-méthyl-β-D-glucopyranosiduronique de 6-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
29741-09-1 [RN]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosiduronic acid
Apigenin-7-O-glucuronide

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 821.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.1±3.0 kJ/mol
    Flash Point: 290.0±27.8 °C
    Index of Refraction: 1.687
    Molar Refractivity: 106.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): -1.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 163 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 81.9±3.0 dyne/cm
    Molar Volume: 279.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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