ChemSpider 2D Image | (9beta,10alpha,11beta,13alpha,16alpha,17alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate | C38H59FO6

(9β,10α,11β,13α,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate

  • Molecular FormulaC38H59FO6
  • Average mass630.870 Da
  • Monoisotopic mass630.429565 Da
  • ChemSpider ID110805030

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,10α,11β,13α,16α,17α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylpalmitat [German] [ACD/IUPAC Name]
(9β,10α,11β,13α,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate [ACD/IUPAC Name]
Hexadecanoic acid, (9β,10α,11β,13α,16α,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Palmitate de (9β,10α,11β,13α,16α,17α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 10.40
ACD/LogD (pH 5.5): 9.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5586109.00
ACD/LogD (pH 7.4): 9.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5585949.50
Polar Surface Area: 101 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 559.0±5.0 cm3

Click to predict properties on the Chemicalize site


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