ChemSpider 2D Image | (3alpha,5xi,9xi,12beta,13xi,24S)-20,24-Epoxydammarane-3,12,17,25-tetrol | C30H52O5

(3α,5ξ,9ξ,12β,13ξ,24S)-20,24-Epoxydammarane-3,12,17,25-tetrol

  • Molecular FormulaC30H52O5
  • Average mass492.731 Da
  • Monoisotopic mass492.381470 Da
  • ChemSpider ID22875279

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(3α,5ξ,9ξ,12β,13ξ,24S)-20,24-Epoxydammaran-3,12,17,25-tetrol [German] [ACD/IUPAC Name]
(3α,5ξ,9ξ,12β,13ξ,24S)-20,24-Epoxydammarane-3,12,17,25-tetrol [ACD/IUPAC Name]
(3α,5ξ,9ξ,12β,13ξ,24S)-20,24-Époxydammarane-3,12,17,25-tétrol [French] [ACD/IUPAC Name]
Dammarane-3,12,17,25-tetrol, 20,24-epoxy-, (3α,5ξ,9ξ,12β,13ξ,24S)- [ACD/Index Name]
(3R,8R,10R,12R,14R,17R)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 594.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.7±6.0 kJ/mol
    Flash Point: 313.4±30.1 °C
    Index of Refraction: 1.547
    Molar Refractivity: 138.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.98
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1783.25
    ACD/KOC (pH 5.5): 7392.90
    ACD/LogD (pH 7.4): 4.58
    ACD/BCF (pH 7.4): 1783.25
    ACD/KOC (pH 7.4): 7392.90
    Polar Surface Area: 90 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 435.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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