ChemSpider 2D Image | (5beta,7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate | C25H40O4

(5β,7β,8α,9β,10α,13α,16β)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate

  • Molecular FormulaC25H40O4
  • Average mass404.583 Da
  • Monoisotopic mass404.292664 Da
  • ChemSpider ID28424277

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,7β,8α,9β,10α,13α,16β)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
(5β,7β,8α,9β,10α,13α,16β)-7,16-Dihydroxykauran-17-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
3-Méthyl-2-buténoate de (5β,7β,8α,9β,10α,13α,16β)-7,16-dihydroxykauran-17-yle [French] [ACD/IUPAC Name]
[1169805-98-4] [RN]
1169805-98-4 [RN]
MFCD20274647
sculponeatin N

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 515.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 90.6±6.0 kJ/mol
    Flash Point: 166.1±16.7 °C
    Index of Refraction: 1.550
    Molar Refractivity: 114.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.22
    ACD/LogD (pH 5.5): 5.91
    ACD/BCF (pH 5.5): 18354.88
    ACD/KOC (pH 5.5): 39226.52
    ACD/LogD (pH 7.4): 5.91
    ACD/BCF (pH 7.4): 18354.88
    ACD/KOC (pH 7.4): 39226.52
    Polar Surface Area: 67 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 46.2±5.0 dyne/cm
    Molar Volume: 358.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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