ChemSpider 2D Image | (6beta,8alpha,9beta,10alpha,11beta,13alpha,16beta)-9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H29FO6

(6β,8α,9β,10α,11β,13α,16β)-9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H29FO6
  • Average mass408.461 Da
  • Monoisotopic mass408.194824 Da
  • ChemSpider ID62308308

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,8α,9β,10α,11β,13α,16β)-9-Fluor-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6β,8α,9β,10α,11β,13α,16β)-9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6β,8α,9β,10α,11β,13α,16β)-9-Fluoro-6,11,17,21-tétrahydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
(6β,8α,9β,10α,11β,13α,16β,17α)-9-Fluor-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6β,8α,9β,10α,11β,13α,16β,17α)-9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6β,8α,9β,10α,11β,13α,16β,17α)-9-Fluoro-6,11,17,21-tétrahydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-6,11,17,21-tetrahydroxy-16-methyl-, (6β,8α,9β,10α,11β,13α,16β)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-6,11,17,21-tetrahydroxy-16-methyl-, (6β,8α,9β,10α,11β,13α,16β,17α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 324.6±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.36
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.35
Polar Surface Area: 115 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


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