ChemSpider 2D Image | (3alpha,5xi,9xi,18xi)-Lup-20(29)-ene-3,28-diol | C30H50O2

(3α,5ξ,9ξ,18ξ)-Lup-20(29)-ene-3,28-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID22875061

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3α,5ξ,9ξ,18ξ)-Lup-20(29)-en-3,28-diol [German] [ACD/IUPAC Name]
(3α,5ξ,9ξ,18ξ)-Lup-20(29)-ene-3,28-diol [ACD/IUPAC Name]
(3α,5ξ,9ξ,18ξ)-Lup-20(29)-ène-3,28-diol [French] [ACD/IUPAC Name]
Lup-20(29)-ene-3,28-diol, (3α,5ξ,9ξ,18ξ)- [ACD/Index Name]
(1R,3aS,5aR,5bR,9R,11aR,13aR)-3a-(hydroxymethyl)-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-9-ol

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 522.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±6.0 kJ/mol
    Flash Point: 210.9±17.2 °C
    Index of Refraction: 1.525
    Molar Refractivity: 133.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 9.01
    ACD/LogD (pH 5.5): 7.70
    ACD/BCF (pH 5.5): 415122.22
    ACD/KOC (pH 5.5): 365647.94
    ACD/LogD (pH 7.4): 7.70
    ACD/BCF (pH 7.4): 415122.22
    ACD/KOC (pH 7.4): 365647.94
    Polar Surface Area: 40 Å2
    Polarizability: 52.8±0.5 10-24cm3
    Surface Tension: 37.0±3.0 dyne/cm
    Molar Volume: 435.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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