ChemSpider 2D Image | Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(2,4,5-trimethoxyphenyl)propanoate | C28H26O9

Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(2,4,5-trimethoxyphenyl)propanoate

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID29771466

More details:

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

3-(5,7-Dihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)-3-(2,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 5,7-dihydroxy-4-oxo-2-phenyl-β-(2,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574336-04-1 [RN]
methyl 3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(2,4,5-trimethoxyphenyl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 704.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.7±3.0 kJ/mol
    Flash Point: 234.6±26.4 °C
    Index of Refraction: 1.615
    Molar Refractivity: 133.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 687.03
    ACD/KOC (pH 5.5): 3605.35
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 66.82
    ACD/KOC (pH 7.4): 350.65
    Polar Surface Area: 121 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 381.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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