ChemSpider 2D Image | 5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-4H-chromen-4-one | C25H24O5

5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-4H-chromen-4-one

  • Molecular FormulaC25H24O5
  • Average mass404.455 Da
  • Monoisotopic mass404.162384 Da
  • ChemSpider ID28424554

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxyphényl)-8-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
[173429-83-9] [RN]
173429-83-9 [RN]
Ficusin A
MFCD20260835

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 603.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±3.0 kJ/mol
    Flash Point: 207.4±25.0 °C
    Index of Refraction: 1.646
    Molar Refractivity: 113.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.64
    ACD/LogD (pH 5.5): 5.97
    ACD/BCF (pH 5.5): 19794.26
    ACD/KOC (pH 5.5): 40049.16
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 1637.21
    ACD/KOC (pH 7.4): 3312.51
    Polar Surface Area: 87 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 56.3±3.0 dyne/cm
    Molar Volume: 312.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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