ChemSpider 2D Image | 3-keto Petromyzonol | C24H40O4

3-keto Petromyzonol

  • Molecular FormulaC24H40O4
  • Average mass392.572 Da
  • Monoisotopic mass392.292664 Da
  • ChemSpider ID29341928

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5α,7α,12α,20R)-7,12,24-Trihydroxycholan-3-on [German] [ACD/IUPAC Name]
(5α,7α,12α,20R)-7,12,24-Trihydroxycholan-3-one [ACD/IUPAC Name]
(5α,7α,12α,20R)-7,12,24-Trihydroxycholan-3-one [French] [ACD/IUPAC Name]
359436-56-9 [RN]
3-keto Petromyzonol
Cholan-3-one, 7,12,24-trihydroxy-, (5α,7α,12α,20R)- [ACD/Index Name]
(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
3-keto Petromyzonol|7α,12α,24-trihydroxy-5α-cholane-3-one
3-Ketopetromyzonol
3-Keto-petromyzonol
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 543.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.5±6.0 kJ/mol
    Flash Point: 296.7±26.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 109.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.93
    ACD/KOC (pH 5.5): 386.94
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.93
    ACD/KOC (pH 7.4): 386.94
    Polar Surface Area: 78 Å2
    Polarizability: 43.5±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 347.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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