ChemSpider 2D Image | (11beta,16beta)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (~2~H_5_)propanoate | C25H27D5ClFO5

(11β,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (2H5)propanoate

  • Molecular FormulaC25H27D5ClFO5
  • Average mass472.001 Da
  • Monoisotopic mass471.223602 Da
  • ChemSpider ID58781474
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Propanoate de (11β,16β)-21-chloro-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
(11β,16β)-21-Chlor-9-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-(2H5)propanoat [German] [ACD/IUPAC Name]
(11β,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (2H5)propanoate [ACD/IUPAC Name]
Propanoic-d5 acid, (11β,16β)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy-2,2,3,3,3-d5)-(11β,16β)-pregna-1,4-diene-3,20-dione
2280940-18-1 [RN]
Clobetasol Propionate-d5
Clobetasol-17-propionate-D5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 212.24
ACD/KOC (pH 5.5): 1611.19
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 212.24
ACD/KOC (pH 7.4): 1611.18
Polar Surface Area: 81 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

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