ChemSpider 2D Image | kushenol N | C26H30O7

kushenol N

  • Molecular FormulaC26H30O7
  • Average mass454.512 Da
  • Monoisotopic mass454.199158 Da
  • ChemSpider ID57257125

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3S)-2-(2,4-Dihydroxyphényl)-3,7-dihydroxy-8-[(2R)-2-isopropényl-5-méthyl-4-hexén-1-yl]-5-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
102490-65-3 [RN]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2R,3S)- [ACD/Index Name]
kushenol N
(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 690.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.2±3.0 kJ/mol
    Flash Point: 232.4±25.0 °C
    Index of Refraction: 1.613
    Molar Refractivity: 124.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.53
    ACD/LogD (pH 5.5): 4.99
    ACD/BCF (pH 5.5): 3606.33
    ACD/KOC (pH 5.5): 12191.88
    ACD/LogD (pH 7.4): 4.67
    ACD/BCF (pH 7.4): 1733.03
    ACD/KOC (pH 7.4): 5858.81
    Polar Surface Area: 116 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 357.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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