ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2-furyl)propanoate | C23H18O10

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

  • Molecular FormulaC23H18O10
  • Average mass454.383 Da
  • Monoisotopic mass454.089996 Da
  • ChemSpider ID29770895

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-(2-furyl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-β-2-furanyl-3,5,7-trihydroxy-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2-furyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2-furyl)propanoat [German] [ACD/IUPAC Name]
1574400-74-0 [RN]
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(furan-2-yl)propanoate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 692.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 372.8±31.5 °C
    Index of Refraction: 1.707
    Molar Refractivity: 110.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 47.26
    ACD/KOC (pH 5.5): 508.77
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 1.33
    ACD/KOC (pH 7.4): 14.31
    Polar Surface Area: 167 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 84.6±3.0 dyne/cm
    Molar Volume: 283.9±3.0 cm3

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