ChemSpider 2D Image | (5alpha,17alpha)-3-Hydroxy(2,2,3,4,4-~2~H_5_)pregnane-11,20-dione | C21H27D5O3

(5α,17α)-3-Hydroxy(2,2,3,4,4-2H5)pregnane-11,20-dione

  • Molecular FormulaC21H27D5O3
  • Average mass337.508 Da
  • Monoisotopic mass337.266541 Da
  • ChemSpider ID107445960

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,17α)-3-Hydroxy(2,2,3,4,4-2H5)pregnan-11,20-dion [German] [ACD/IUPAC Name]
(5α,17α)-3-Hydroxy(2,2,3,4,4-2H5)pregnane-11,20-dione [ACD/IUPAC Name]
(5α,17α)-3-Hydroxy(2,2,3,4,4-2H5)prégnane-11,20-dione [French] [ACD/IUPAC Name]
Pregnane-11,20-dione-2,2,3,4,4-d5, 3-hydroxy-, (5α,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 251.0±23.8 °C
Index of Refraction: 1.533
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.00
ACD/KOC (pH 5.5): 1196.22
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.00
ACD/KOC (pH 7.4): 1196.22
Polar Surface Area: 54 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

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