ChemSpider 2D Image | (3beta,9xi,14xi)-Cholest-5-en-3-yl formate | C28H46O2

(3β,9ξ,14ξ)-Cholest-5-en-3-yl formate

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID29766595

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,9ξ,14ξ)-Cholest-5-en-3-yl formate [ACD/IUPAC Name]
(3β,9ξ,14ξ)-Cholest-5-en-3-ylformiat [German] [ACD/IUPAC Name]
Cholest-5-en-3-ol, formate, (3β,9ξ,14ξ)- [ACD/Index Name]
Formiate de (3β,9ξ,14ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3S,8S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl formate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 487.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 206.2±17.8 °C
    Index of Refraction: 1.518
    Molar Refractivity: 125.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 10.36
    ACD/LogD (pH 5.5): 9.19
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 2392623.25
    ACD/LogD (pH 7.4): 9.19
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 2392623.25
    Polar Surface Area: 26 Å2
    Polarizability: 49.6±0.5 10-24cm3
    Surface Tension: 37.9±5.0 dyne/cm
    Molar Volume: 413.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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