ChemSpider 2D Image | (5xi,9xi,10xi,13xi,17xi,18xi,19xi)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate | C40H58O4

(5ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID21337893

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(2E)-3-(4-Méthoxyphényl)acrylate de (5ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-hydroxylup-20(29)-én-28-yle [French] [ACD/IUPAC Name]
(5ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate [ACD/IUPAC Name]
(5ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl-(2E)-3-(4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-methoxyphenyl)-, (5ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-hydroxylup-20(29)-en-28-yl ester, (2E)- [ACD/Index Name]
[(5aR,5bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 667.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±3.0 kJ/mol
    Flash Point: 195.4±18.1 °C
    Index of Refraction: 1.549
    Molar Refractivity: 180.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 11.85
    ACD/LogD (pH 5.5): 9.72
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 4635806.50
    ACD/LogD (pH 7.4): 9.72
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 4635806.50
    Polar Surface Area: 56 Å2
    Polarizability: 71.5±0.5 10-24cm3
    Surface Tension: 39.6±3.0 dyne/cm
    Molar Volume: 567.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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