ChemSpider 2D Image | (11beta,16alpha,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic acid | C22H29FO5

(11β,16α,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic acid

  • Molecular FormulaC22H29FO5
  • Average mass392.461 Da
  • Monoisotopic mass392.199890 Da
  • ChemSpider ID48063807
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(11β,16α,20S)-9-Fluor-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-säure [German] [ACD/IUPAC Name]
(11β,16α,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic acid [ACD/IUPAC Name]
Acide (11β,16α,20S)-9-fluoro-11,20-dihydroxy-16-méthyl-3-oxoprégna-1,4-dién-21-oïque [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-oic acid, 9-fluoro-11,20-dihydroxy-16-methyl-3-oxo-, (11β,16α,20S)- [ACD/Index Name]
(11??,16??,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic Acid
(11β,16α,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic Acid
(11β,16α)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic acid [ACD/IUPAC Name]
(11β,16α,20S)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic Acid
(2S)-2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
50764-02-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 580.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.1±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site






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