ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate | C36H56O8

(3β,5ξ,6α,9β,16β,20R,24S)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID17466584

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,20R,24S)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostan-3,6,16-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate [ACD/IUPAC Name]
9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, 3,6,16-triacetate, (3β,5ξ,6α,9β,16β,20R,24S)- [ACD/Index Name]
Triacétate de (3β,5ξ,6α,9β,16β,20R,24S)-25-hydroxy-20,24-époxy-9,19-cyclolanostane-3,6,16-triyle [French] [ACD/IUPAC Name]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 638.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±6.0 kJ/mol
    Flash Point: 187.7±25.0 °C
    Index of Refraction: 1.546
    Molar Refractivity: 165.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.28
    ACD/LogD (pH 5.5): 6.15
    ACD/BCF (pH 5.5): 27606.60
    ACD/KOC (pH 5.5): 52536.59
    ACD/LogD (pH 7.4): 6.15
    ACD/BCF (pH 7.4): 27606.60
    ACD/KOC (pH 7.4): 52536.59
    Polar Surface Area: 108 Å2
    Polarizability: 65.5±0.5 10-24cm3
    Surface Tension: 47.4±5.0 dyne/cm
    Molar Volume: 521.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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