ChemSpider 2D Image | (25,26,26,26,27,27,27-~2~H_7_)Cholest-5-en-3-one | C27H37D7O

(25,26,26,26,27,27,27-2H7)Cholest-5-en-3-one

  • Molecular FormulaC27H37D7O
  • Average mass391.681 Da
  • Monoisotopic mass391.383148 Da
  • ChemSpider ID58783217
  • 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

(25,26,26,26,27,27,27-2H7)Cholest-5-en-3-on [German] [ACD/IUPAC Name]
(25,26,26,26,27,27,27-2H7)Cholest-5-en-3-one [ACD/IUPAC Name]
(25,26,26,26,27,27,27-2H7)Cholest-5-én-3-one [French] [ACD/IUPAC Name]
Cholest-5-en-3-one-25,26,26,26,27,27,27-d7 [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: 477.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 200.5±15.1 °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: 9.44
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 558840.94
ACD/KOC (pH 5.5): 452355.53
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 558840.94
ACD/KOC (pH 7.4): 452355.53
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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