ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-isopropylphenyl)propanoate | C28H26O9

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

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID29772585

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-(4-isopropylphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-[4-(1-methylethyl)phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-isopropylphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-isopropylphenyl)propanoat [German] [ACD/IUPAC Name]
1574320-77-6 [RN]
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(4-propan-2-ylphenyl)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: 730.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.4±3.0 kJ/mol
    Flash Point: 244.2±26.4 °C
    Index of Refraction: 1.679
    Molar Refractivity: 132.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 4.96
    ACD/LogD (pH 5.5): 4.59
    ACD/BCF (pH 5.5): 1772.67
    ACD/KOC (pH 5.5): 7110.71
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 157.35
    ACD/KOC (pH 7.4): 631.16
    Polar Surface Area: 154 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 351.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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