ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-17-Hydroxy-6-(~2~H_3_)methylpregna-4,6-diene-3,20-dione | C22H27D3O3

(8α,9β,10α,13α,14β,17α)-17-Hydroxy-6-(2H3)methylpregna-4,6-diene-3,20-dione

  • Molecular FormulaC22H27D3O3
  • Average mass345.490 Da
  • Monoisotopic mass345.238312 Da
  • ChemSpider ID111312142

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α,9β,10α,13α,14β,17α)-17-Hydroxy-6-(2H3)methylpregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Hydroxy-6-(2H3)methylpregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Hydroxy-6-(2H3)méthylprégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-(methyl-d3)-, (8α,9β,10α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 270.5±26.6 °C
Index of Refraction: 1.569
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.08
ACD/KOC (pH 5.5): 1868.66
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.08
ACD/KOC (pH 7.4): 1868.65
Polar Surface Area: 54 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 295.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement