ChemSpider 2D Image | (20S)-Cholesta-4,6-dien-3-one | C27H42O

(20S)-Cholesta-4,6-dien-3-one

  • Molecular FormulaC27H42O
  • Average mass382.622 Da
  • Monoisotopic mass382.323578 Da
  • ChemSpider ID64849328

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(20S)-Cholesta-4,6-dien-3-on [German] [ACD/IUPAC Name]
(20S)-Cholesta-4,6-dien-3-one [ACD/IUPAC Name]
(20S)-Cholesta-4,6-dién-3-one [French] [ACD/IUPAC Name]
Cholesta-4,6-dien-3-one, (20S)- [ACD/Index Name]
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
566-93-8 [RN]
Cholesta-4,6-dien-3-one [ACD/Index Name] [ACD/IUPAC Name]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 494.0±12.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 250.7±10.4 °C
    Index of Refraction: 1.530
    Molar Refractivity: 118.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 8.87
    ACD/LogD (pH 5.5): 7.30
    ACD/BCF (pH 5.5): 206840.55
    ACD/KOC (pH 5.5): 222079.03
    ACD/LogD (pH 7.4): 7.30
    ACD/BCF (pH 7.4): 206840.55
    ACD/KOC (pH 7.4): 222079.03
    Polar Surface Area: 17 Å2
    Polarizability: 47.0±0.5 10-24cm3
    Surface Tension: 37.7±5.0 dyne/cm
    Molar Volume: 383.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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