ChemSpider 2D Image | Methyl 3-(5-methyl-2-furyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate | C24H20O8

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

  • Molecular FormulaC24H20O8
  • Average mass436.411 Da
  • Monoisotopic mass436.115814 Da
  • ChemSpider ID30718290

More details:

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

3-(5-Méthyl-2-furyl)-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, 5,6,7-trihydroxy-β-(5-methyl-2-furanyl)-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(5-methyl-2-furyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(5-methyl-2-furyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoat [German] [ACD/IUPAC Name]
1574292-83-3 [RN]
methyl 3-(5-methylfuran-2-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate
methyl 3-(5-methylfuran-2-yl)-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: 668.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 358.2±31.5 °C
    Index of Refraction: 1.651
    Molar Refractivity: 112.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 658.81
    ACD/KOC (pH 5.5): 3316.51
    ACD/LogD (pH 7.4): 2.46
    ACD/BCF (pH 7.4): 16.71
    ACD/KOC (pH 7.4): 84.13
    Polar Surface Area: 126 Å2
    Polarizability: 44.4±0.5 10-24cm3
    Surface Tension: 64.9±3.0 dyne/cm
    Molar Volume: 306.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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