ChemSpider 2D Image | (22R)-27-Hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione | C28H38O4

(22R)-27-Hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione

  • Molecular FormulaC28H38O4
  • Average mass438.599 Da
  • Monoisotopic mass438.277008 Da
  • ChemSpider ID58802410

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22R)-27-Hydroxy-22,26-epoxyergosta-2,5,24-trien-1,26-dion [German] [ACD/IUPAC Name]
(22R)-27-Hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione [ACD/IUPAC Name]
(22R)-27-Hydroxy-22,26-époxyergosta-2,5,24-triène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-27-hydroxy-, (22R)- [ACD/Index Name]
81874-44-4 [RN]
WuXiNP03236

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 620.2±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.1 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±6.0 kJ/mol
    Flash Point: 204.6±21.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 123.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.63
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5816.41
    ACD/KOC (pH 5.5): 17231.85
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5816.40
    ACD/KOC (pH 7.4): 17231.83
    Polar Surface Area: 64 Å2
    Polarizability: 49.1±0.5 10-24cm3
    Surface Tension: 47.8±5.0 dyne/cm
    Molar Volume: 374.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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