ChemSpider 2D Image | (6alpha,9beta,10alpha,11beta,13alpha,16alpha,17alpha)-6,9-Difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H28F2O4

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

  • Molecular FormulaC22H28F2O4
  • Average mass394.452 Da
  • Monoisotopic mass394.195557 Da
  • ChemSpider ID114814259

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,9β,10α,11β,13α,16α,17α)-6,9-Difluor-11,21-dihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α,9β,10α,11β,13α,16α,17α)-6,9-Difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α,9β,10α,11β,13α,16α,17α)-6,9-Difluoro-11,21-dihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16-methyl-, (6α,9β,10α,11β,13α,16α,17α)- [ACD/Index 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: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 276.8±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.16
ACD/KOC (pH 5.5): 350.18
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 350.18
Polar Surface Area: 75 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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