ChemSpider 2D Image | 6-Chloro-3,20-dioxo(2,2,4,21,21,21-~2~H_6_)pregna-4,6-dien-17-yl acetate | C23H23D6ClO4

6-Chloro-3,20-dioxo(2,2,4,21,21,21-2H6)pregna-4,6-dien-17-yl acetate

  • Molecular FormulaC23H23D6ClO4
  • Average mass410.964 Da
  • Monoisotopic mass410.213104 Da
  • ChemSpider ID58779848

  • 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

6-Chlor-3,20-dioxo(2,2,4,21,21,21-2H6)pregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
6-Chloro-3,20-dioxo(2,2,4,21,21,21-2H6)pregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de 6-chloro-3,20-dioxo(2,2,4,21,21,21-2H6)prégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione-2,2,4,21,21,21-d6, 17-(acetyloxy)-6-chloro- [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: 512.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 172.5±29.1 °C
Index of Refraction: 1.563
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.97
ACD/KOC (pH 5.5): 2531.37
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.97
ACD/KOC (pH 7.4): 2531.37
Polar Surface Area: 60 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

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