ChemSpider 2D Image | 1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]-beta-D-glucopyranuronic acid | C23H20O10

1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC23H20O10
  • Average mass456.399 Da
  • Monoisotopic mass456.105652 Da
  • ChemSpider ID32696927

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(3-méthyl-4-oxo-2-phényl-4H-chromén-8-yl)carbonyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)carbonyl]- [ACD/Index Name]
(5?)-1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]-?-D-lyxo-hexopyranuronic acid
3-Methylflavone-8-carboxylic acid acyl-b-D-glucuronide
60218-13-5 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 752.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 115.1±3.0 kJ/mol
    Flash Point: 263.5±26.4 °C
    Index of Refraction: 1.692
    Molar Refractivity: 109.4±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): -1.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 160 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 86.5±5.0 dyne/cm
    Molar Volume: 285.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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