ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi)-17-Hydroxy-6-methyl(2,2,21,21,21-~2~H_5_)pregna-4,6-diene-3,20-dione | C22H25D5O3

(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-6-methyl(2,2,21,21,21-2H5)pregna-4,6-diene-3,20-dione

  • Molecular FormulaC22H25D5O3
  • Average mass347.503 Da
  • Monoisotopic mass347.250885 Da
  • ChemSpider ID28295633

  • defined stereocentres - 1 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-6-methyl(2,2,21,21,21-2H5)pregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-6-methyl(2,2,21,21,21-2H5)pregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-6-méthyl(2,2,21,21,21-2H5)prégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione-2,2,21,21,21-d5, 17-hydroxy-6-methyl-, (8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
4,6-Pregnadien-6-methyl-17-ol-3,20-dione-2,2,21,21,21-d5

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

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