ChemSpider 2D Image | (9xi,11beta,13xi,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate | C24H30BrFO6

(9ξ,11β,13ξ,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate

  • Molecular FormulaC24H30BrFO6
  • Average mass513.394 Da
  • Monoisotopic mass512.120972 Da
  • ChemSpider ID58816225

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(9ξ,11β,13ξ,16α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-bromacetat [German] [ACD/IUPAC Name]
(9ξ,11β,13ξ,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate [ACD/IUPAC Name]
Acetic acid, 2-bromo-, (9ξ,11β,13ξ,16α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Bromoacétate de (9ξ,11β,13ξ,16α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
1764-73-4 [RN]
Dexamethasone 21-bromoacetate

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

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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