ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-one | C22H31FO5

(11β,16α)-9-Fluoro-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-one

  • Molecular FormulaC22H31FO5
  • Average mass394.477 Da
  • Monoisotopic mass394.215546 Da
  • ChemSpider ID61714906

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(11β,16α)-9-Fluor-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-on [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-one [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,20,21-tétrahydroxy-16-méthylprégna-1,4-dién-3-one [French] [ACD/IUPAC Name]
(8α,11β,14β,16α,17α,20R)-9-Fluor-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-on [German] [ACD/IUPAC Name]
(8α,11β,14β,16α,17α,20R)-9-Fluoro-11,17,20,21-tetrahydroxy-16-methylpregna-1,4-dien-3-one [ACD/IUPAC Name]
(8α,11β,14β,16α,17α,20R)-9-Fluoro-11,17,20,21-tétrahydroxy-16-méthylprégna-1,4-dién-3-one [French] [ACD/IUPAC Name]
55879-48-6 [RN]
Pregna-1,4-dien-3-one, 9-fluoro-11,17,20,21-tetrahydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]
Pregna-1,4-dien-3-one, 9-fluoro-11,17,20,21-tetrahydroxy-16-methyl-, (8α,11β,14β,16α,17α,20R)- [ACD/Index Name]
DEX
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 587.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 309.3±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.19
ACD/KOC (pH 5.5): 128.36
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 128.35
Polar Surface Area: 98 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 297.3±5.0 cm3

Click to predict properties on the Chemicalize site


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