ChemSpider 2D Image | (11?,12?,16?)-12-fluoro-11,16,17-trihydroxypregn-4-ene-3,20-dione | C21H29FO5

(11?,12?,16?)-12-fluoro-11,16,17-trihydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H29FO5
  • Average mass380.450 Da
  • Monoisotopic mass380.199890 Da
  • ChemSpider ID34988295

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(11?,12?,16?)-12-fluoro-11,16,17-trihydroxypregn-4-ene-3,20-dione
(11β,12α,16α)-12-Fluor-11,16,17-trihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(11β,12α,16α)-12-Fluoro-11,16,17-trihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(11β,12α,16α)-12-Fluoro-11,16,17-trihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
2367-53-5 [RN]
Pregn-4-ene-3,20-dione, 12-fluoro-11,16,17-trihydroxy-, (11β,12α,16α)- [ACD/Index Name]
12-FLUORO-11,16,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE, (11β,12α,16α)-

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

94FE4SA1S5 [DBID]
UNII:94FE4SA1S5 [DBID]
UNII-94FE4SA1S5 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.68
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 78.67
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

Click to predict properties on the Chemicalize site


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