ChemSpider 2D Image | (3beta,17xi,20xi)-3-Methoxycholest-5-ene | C28H48O

(3β,17ξ,20ξ)-3-Methoxycholest-5-ene

  • Molecular FormulaC28H48O
  • Average mass400.680 Da
  • Monoisotopic mass400.370514 Da
  • ChemSpider ID75588495

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,17ξ,20ξ)-3-Methoxycholest-5-en [German] [ACD/IUPAC Name]
(3β,17ξ,20ξ)-3-Methoxycholest-5-ene [ACD/IUPAC Name]
(3β,17ξ,20ξ)-3-Méthoxycholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 3-methoxy-, (3β,17ξ,20ξ)- [ACD/Index 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: 469.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 238.7±18.6 °C
Index of Refraction: 1.511
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2054616.63
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2054616.63
Polar Surface Area: 9 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 35.5±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

Click to predict properties on the Chemicalize site


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