ChemSpider 2D Image | kushenol A | C25H28O5

kushenol A

  • Molecular FormulaC25H28O5
  • Average mass408.487 Da
  • Monoisotopic mass408.193665 Da
  • ChemSpider ID23332561

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(2-hydroxyphényl)-8-[(2R)-2-isopropényl-5-méthyl-4-hexén-1-yl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2S)- [ACD/Index Name]
99217-63-7 [RN]
kushenol A
(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one
(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one
(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
[99217-63-7] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 581.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.2±3.0 kJ/mol
    Flash Point: 195.8±23.6 °C
    Index of Refraction: 1.607
    Molar Refractivity: 116.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.24
    ACD/LogD (pH 5.5): 6.62
    ACD/BCF (pH 5.5): 63195.74
    ACD/KOC (pH 5.5): 94687.08
    ACD/LogD (pH 7.4): 6.31
    ACD/BCF (pH 7.4): 30625.56
    ACD/KOC (pH 7.4): 45886.71
    Polar Surface Area: 87 Å2
    Polarizability: 46.1±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 336.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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