ChemSpider 2D Image | (11β,16α)-21-[(Bromoacetyl)oxy]-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione | C24H30BrFO6

(11β,16α)-21-[(Bromoacetyl)oxy]-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC24H30BrFO6
  • Average mass513.394 Da
  • Monoisotopic mass512.120972 Da
  • ChemSpider ID19968979
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(11β,16α)-21-[(Bromoacetyl)oxy]-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
(11β,16α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-bromacetat [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate [ACD/IUPAC Name]
1764-73-4 [RN]
Acetic acid, 2-bromo-, (11β,16α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Bromoacétate de (11β,16α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-((bromoacetyl)oxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11β,16α)-
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
Dexamethasone 21-bromoacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.50
ACD/KOC (pH 5.5): 1342.56
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.49
ACD/KOC (pH 7.4): 1342.52
Polar Surface Area: 101 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 347.2±5.0 cm3

Click to predict properties on the Chemicalize site






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