ChemSpider 2D Image | (3beta,5alpha)-4,4-Bis[(~2~H_3_)methyl]cholest-8-en-3-ol | C29H44D6O

(3β,5α)-4,4-Bis[(2H3)methyl]cholest-8-en-3-ol

  • Molecular FormulaC29H44D6O
  • Average mass420.744 Da
  • Monoisotopic mass420.423828 Da
  • ChemSpider ID115010689

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5α)-4,4-Bis[(2H3)methyl]cholest-8-en-3-ol [German] [ACD/IUPAC Name]
(3β,5α)-4,4-Bis[(2H3)methyl]cholest-8-en-3-ol [ACD/IUPAC Name]
(3β,5α)-4,4-Bis[(2H3)méthyl]cholest-8-én-3-ol [French] [ACD/IUPAC Name]
Cholest-8-en-3-ol, 4,4-di(methyl-d3)-, (3β,5α)- [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: 492.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 217.8±20.7 °C
Index of Refraction: 1.522
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.83
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4352580.00
ACD/LogD (pH 7.4): 9.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4352580.00
Polar Surface Area: 20 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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