ChemSpider 2D Image | (16beta)-21-Chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl (~2~H_7_)butanoate | C26H25D7ClFO5

(16β)-21-Chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl (2H7)butanoate

  • Molecular FormulaC26H25D7ClFO5
  • Average mass486.024 Da
  • Monoisotopic mass485.236176 Da
  • ChemSpider ID58780664

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H7)Butanoate de (16β)-21-chloro-9-fluoro-16-méthyl-3,11,20-trioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
(16β)-21-Chlor-9-fluor-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl-(2H7)butanoat [German] [ACD/IUPAC Name]
(16β)-21-Chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl (2H7)butanoate [ACD/IUPAC Name]
Butanoic-d7 acid, (16β)-21-chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-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: 573.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 181.1±19.3 °C
Index of Refraction: 1.551
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.79
ACD/KOC (pH 5.5): 2819.40
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 463.79
ACD/KOC (pH 7.4): 2819.40
Polar Surface Area: 78 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 379.2±5.0 cm3

Click to predict properties on the Chemicalize site


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