ChemSpider 2D Image | (9beta,10alpha,11beta,13alpha,16beta,17alpha)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate | C29H33FO6

(9β,10α,11β,13α,16β,17α)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate

  • Molecular FormulaC29H33FO6
  • Average mass496.567 Da
  • Monoisotopic mass496.226105 Da
  • ChemSpider ID110805199

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,10α,11β,13α,16β,17α)-9-Fluor-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-benzoat [German] [ACD/IUPAC Name]
(9β,10α,11β,13α,16β,17α)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate [ACD/IUPAC Name]
Benzoate de (9β,10α,11β,13α,16β,17α)-9-fluoro-11,21-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 17-(benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (9β,10α,11β,13α,16β,17α)- [ACD/Index Name]
(1S,2S,3aS,3bS,9aR,9bS,10S,11aR)-9b-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl benzoate
22298-29-9 [RN]
Uticort [Trade 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: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 574.47
ACD/KOC (pH 5.5): 3286.15
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 574.47
ACD/KOC (pH 7.4): 3286.13
Polar Surface Area: 101 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 376.4±5.0 cm3

Click to predict properties on the Chemicalize site


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