ChemSpider 2D Image | 4-{5-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoic acid | C30H22O10

4-{5-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoic acid

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID30718445

More details:

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

4-{5-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
4-{5-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoic acid [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, β-[5-(4-carboxyphenyl)-2-furanyl]-5,6,7-trihydroxy-4-oxo-2-phenyl-, α-methyl ester [ACD/Index Name]
Acide 4-{5-[3-méthoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propyl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
1574391-64-2 [RN]
4-(5-(3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl)furan-2-yl)benzoic acid
4-[5-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propyl]furan-2-yl]benzoic acid
MolPort-029-886-612

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 816.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.4±3.0 kJ/mol
    Flash Point: 447.6±34.3 °C
    Index of Refraction: 1.677
    Molar Refractivity: 138.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 5.58
    ACD/LogD (pH 5.5): 3.55
    ACD/BCF (pH 5.5): 128.29
    ACD/KOC (pH 5.5): 423.00
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 69.9±3.0 dyne/cm
    Molar Volume: 368.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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