ChemSpider 2D Image | (4α,5α)-4-Methylcholestane | C28H50

(4α,5α)-4-Methylcholestane

  • Molecular FormulaC28H50
  • Average mass386.697 Da
  • Monoisotopic mass386.391266 Da
  • ChemSpider ID32821050
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(4α,5α)-4-Methylcholestane
(4α,5α)-4-Methylcholestan [German] [ACD/IUPAC Name]
(4α,5α)-4-Methylcholestane [ACD/IUPAC Name]
(4α,5α)-4-Méthylcholestane [French] [ACD/IUPAC Name]
474-41-9 [RN]
Cholestane, 4-methyl-, (4α,5α)- [ACD/Index Name]
4α-METHYL-5α(H),14α(H),17α(H)-CHOLESTANE
4α-METHYL-5α(H),14α(H),17α(H)-CHOLESTANE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 450.1±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 68.2±0.8 kJ/mol
Flash Point: 216.2±13.1 °C
Index of Refraction: 1.487
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 12.76
ACD/LogD (pH 5.5): 10.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 429.1±3.0 cm3

Click to predict properties on the Chemicalize site






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