ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(5-methyl-2-furyl)propanoate | C24H20O10

Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(5-methyl-2-furyl)propanoate

  • Molecular FormulaC24H20O10
  • Average mass468.410 Da
  • Monoisotopic mass468.105652 Da
  • ChemSpider ID29771851

More details:

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

3-[2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-4-oxo-4H-chromén-8-yl]-3-(5-méthyl-2-furyl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-(5-methyl-2-furanyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(5-methyl-2-furyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(5-methyl-2-furyl)propanoat [German] [ACD/IUPAC Name]
1574477-06-7 [RN]
MCULE-2130491791
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(5-methylfuran-2-yl)propanoate
MolPort-028-855-680

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 694.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 374.0±31.5 °C
    Index of Refraction: 1.695
    Molar Refractivity: 115.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 3.00
    ACD/BCF (pH 5.5): 104.42
    ACD/KOC (pH 5.5): 897.83
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 2.96
    ACD/KOC (pH 7.4): 25.50
    Polar Surface Area: 167 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 80.5±3.0 dyne/cm
    Molar Volume: 300.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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