ChemSpider 2D Image | Methyl 4-{5-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoate | C31H24O10

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

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID30717184

More details:

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

4-{5-[3-Méthoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propyl]-2-furyl}benzoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 5,6,7-trihydroxy-β-[5-[4-(methoxycarbonyl)phenyl]-2-furanyl]-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 4-{5-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoate [ACD/IUPAC Name]
Methyl-4-{5-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]-2-furyl}benzoat [German] [ACD/IUPAC Name]
1574338-05-8 [RN]
methyl 4-(5-(3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl)furan-2-yl)benzoate
methyl 4-[5-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propyl]furan-2-yl]benzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 784.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.2±3.0 kJ/mol
    Flash Point: 428.4±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 143.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 5.67
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 2922.40
    ACD/KOC (pH 5.5): 9564.23
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 66.81
    ACD/KOC (pH 7.4): 218.66
    Polar Surface Area: 153 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 62.8±3.0 dyne/cm
    Molar Volume: 393.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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