ChemSpider 2D Image | (11beta,13xi)-21-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione | C21H29FO4

(11β,13ξ)-21-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H29FO4
  • Average mass364.451 Da
  • Monoisotopic mass364.204987 Da
  • ChemSpider ID58817218

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-21-Fluor-11,17-dihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(11β,13ξ)-21-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(11β,13ξ)-21-Fluoro-11,17-dihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-fluoro-11,17-dihydroxy-, (11β,13ξ)- [ACD/Index Name]
434-02-6 [RN]
PROGESTERONE, 21-FLUORO-11

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.2±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.05
ACD/KOC (pH 5.5): 339.02
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.05
ACD/KOC (pH 7.4): 339.01
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

Click to predict properties on the Chemicalize site


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