ChemSpider 2D Image | (1alpha,3beta,22R)-1,3,27-Trihydroxy-22,26-epoxyergosta-5,24-dien-26-one | C28H42O5

(1α,3β,22R)-1,3,27-Trihydroxy-22,26-epoxyergosta-5,24-dien-26-one

  • Molecular FormulaC28H42O5
  • Average mass458.630 Da
  • Monoisotopic mass458.303223 Da
  • ChemSpider ID34237179

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,22R)-1,3,27-Trihydroxy-22,26-epoxyergosta-5,24-dien-26-on [German] [ACD/IUPAC Name]
(1α,3β,22R)-1,3,27-Trihydroxy-22,26-epoxyergosta-5,24-dien-26-one [ACD/IUPAC Name]
(1α,3β,22R)-1,3,27-Trihydroxy-22,26-époxyergosta-5,24-dién-26-one [French] [ACD/IUPAC Name]
98569-64-3 [RN]
Ergosta-5,24-dien-26-one, 22,26-epoxy-1,3,27-trihydroxy-, (1α,3β,22R)- [ACD/Index Name]
(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
Pubesenolide
sominone

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 650.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±6.0 kJ/mol
    Flash Point: 213.4±25.0 °C
    Index of Refraction: 1.583
    Molar Refractivity: 126.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 856.32
    ACD/KOC (pH 5.5): 4373.01
    ACD/LogD (pH 7.4): 4.16
    ACD/BCF (pH 7.4): 856.32
    ACD/KOC (pH 7.4): 4373.01
    Polar Surface Area: 87 Å2
    Polarizability: 50.3±0.5 10-24cm3
    Surface Tension: 52.3±5.0 dyne/cm
    Molar Volume: 379.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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