ChemSpider 2D Image | (2beta,3R,5alpha)-2-Methoxy(1,1,3,5-~2~H_4_)cholestan-4-one | C28H44D4O2

(2β,3R,5α)-2-Methoxy(1,1,3,5-2H4)cholestan-4-one

  • Molecular FormulaC28H44D4O2
  • Average mass420.704 Da
  • Monoisotopic mass420.390533 Da
  • ChemSpider ID8607722

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2β,3R,5α)-2-Methoxy(1,1,3,5-2H4)cholestan-4-on [German] [ACD/IUPAC Name]
(2β,3R,5α)-2-Methoxy(1,1,3,5-2H4)cholestan-4-one [ACD/IUPAC Name]
(2β,3R,5α)-2-Méthoxy(1,1,3,5-2H4)cholestan-4-one [French] [ACD/IUPAC Name]
Cholestan-4-one-1,1,3,5-d4, 2-methoxy-, (2β,3R,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: 490.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 163.4±17.6 °C
Index of Refraction: 1.507
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.71
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 179112.02
ACD/KOC (pH 5.5): 200337.88
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 179112.02
ACD/KOC (pH 7.4): 200337.88
Polar Surface Area: 26 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 36.8±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

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