ChemSpider 2D Image | 17-Hydroxy(2,2,4,6,6,9,21,21,21-~2~H_9_)pregn-4-ene-3,11,20-trione | C21H19D9O4

17-Hydroxy(2,2,4,6,6,9,21,21,21-2H9)pregn-4-ene-3,11,20-trione

  • Molecular FormulaC21H19D9O4
  • Average mass353.500 Da
  • Monoisotopic mass353.255249 Da
  • ChemSpider ID115010661

  • 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

17-Hydroxy(2,2,4,6,6,9,21,21,21-2H9)pregn-4-en-3,11,20-trion [German] [ACD/IUPAC Name]
17-Hydroxy(2,2,4,6,6,9,21,21,21-2H9)pregn-4-ene-3,11,20-trione [ACD/IUPAC Name]
17-Hydroxy(2,2,4,6,6,9,21,21,21-2H9)prégn-4-ène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,11,20-trione-2,2,4,6,6,9,21,21,21-d9, 17-hydroxy- [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: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 285.1±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.95
ACD/KOC (pH 5.5): 307.16
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.95
ACD/KOC (pH 7.4): 307.16
Polar Surface Area: 71 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

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