ChemSpider 2D Image | Methyl 3-(3,4-dimethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate | C27H24O9

Methyl 3-(3,4-dimethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

  • Molecular FormulaC27H24O9
  • Average mass492.474 Da
  • Monoisotopic mass492.142029 Da
  • ChemSpider ID30718065

More details:

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

3-(3,4-Diméthoxyphényl)-3-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, β-(3,4-dimethoxyphenyl)-5,6,7-trihydroxy-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(3,4-dimethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(3,4-dimethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoat [German] [ACD/IUPAC Name]
1574352-80-9 [RN]
methyl 3-(3,4-dimethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 738.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.6±3.0 kJ/mol
    Flash Point: 250.0±26.4 °C
    Index of Refraction: 1.640
    Molar Refractivity: 128.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.23
    ACD/BCF (pH 5.5): 934.32
    ACD/KOC (pH 5.5): 4442.93
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 68.60
    ACD/KOC (pH 7.4): 326.22
    Polar Surface Area: 132 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 61.1±3.0 dyne/cm
    Molar Volume: 355.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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