ChemSpider 2D Image | (5xi,13alpha,14beta,24R)-12,25-Dihydroxy-20,24-epoxydammaran-3-one | C30H50O4

(5ξ,13α,14β,24R)-12,25-Dihydroxy-20,24-epoxydammaran-3-one

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID58801784

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5ξ,13α,14β,24R)-12,25-Dihydroxy-20,24-epoxydammaran-3-on [German] [ACD/IUPAC Name]
(5ξ,13α,14β,24R)-12,25-Dihydroxy-20,24-epoxydammaran-3-one [ACD/IUPAC Name]
(5ξ,13α,14β,24R)-12,25-Dihydroxy-20,24-époxydammaran-3-one [French] [ACD/IUPAC Name]
Dammaran-3-one, 20,24-epoxy-12,25-dihydroxy-, (5ξ,13α,14β,24R)- [ACD/Index Name]
(8R,9R,10R,12R,13S,14S,17S)-12-hydroxy-17-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
20s,24r-epoxydammara-12??,25-diol-3-one
20s,24r-epoxydammara-12β,25-diol-3-one
25279-15-6 [RN]
Dammaran-3-one, 20,24-epoxy-12,25-dihydroxy-, (12??,24R)-
MFCD20260352

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 561.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±6.0 kJ/mol
    Flash Point: 173.0±22.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 135.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.45
    ACD/LogD (pH 5.5): 5.28
    ACD/BCF (pH 5.5): 6077.27
    ACD/KOC (pH 5.5): 17781.58
    ACD/LogD (pH 7.4): 5.28
    ACD/BCF (pH 7.4): 6077.27
    ACD/KOC (pH 7.4): 17781.58
    Polar Surface Area: 67 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 40.5±3.0 dyne/cm
    Molar Volume: 439.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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