ChemSpider 2D Image | 17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl (~2~H_3_)acetate | C23H25D3O6

17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl (2H3)acetate

  • Molecular FormulaC23H25D3O6
  • Average mass403.483 Da
  • Monoisotopic mass403.207428 Da
  • ChemSpider ID58785480

  • 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

(2H3)Acétate de 17-hydroxy-3,11,20-trioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl (2H3)acetate [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, 17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 200.2±23.6 °C
Index of Refraction: 1.580
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.82
ACD/KOC (pH 5.5): 529.32
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.82
ACD/KOC (pH 7.4): 529.32
Polar Surface Area: 98 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 311.5±5.0 cm3

Click to predict properties on the Chemicalize site


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