ChemSpider 2D Image | (2,2,4,6,6-~2~H_5_)Cholest-4-en-3-one | C27H39D5O

(2,2,4,6,6-2H5)Cholest-4-en-3-one

  • Molecular FormulaC27H39D5O
  • Average mass389.668 Da
  • Monoisotopic mass389.370605 Da
  • ChemSpider ID62993121

  • 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

(2,2,4,6,6-2H5)Cholest-4-en-3-on [German] [ACD/IUPAC Name]
(2,2,4,6,6-2H5)Cholest-4-en-3-one [ACD/IUPAC Name]
(2,2,4,6,6-2H5)Cholest-4-én-3-one [French] [ACD/IUPAC Name]
Cholest-4-en-3-one-2,2,4,6,6-d5 [ACD/Index Name]
72560-60-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 482.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 247.7±10.4 °C
Index of Refraction: 1.519
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 394389.06
ACD/KOC (pH 5.5): 352481.09
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 394389.06
ACD/KOC (pH 7.4): 352481.09
Polar Surface Area: 17 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

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