ChemSpider 2D Image | (8alpha,9beta,10alpha,11alpha,13alpha,14beta,16alpha,17alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate | C27H37FO6

(8α,9β,10α,11α,13α,14β,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate

  • Molecular FormulaC27H37FO6
  • Average mass476.578 Da
  • Monoisotopic mass476.257416 Da
  • ChemSpider ID114553281

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,9β,10α,11α,13α,14β,16α,17α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylvalerat [German] [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate [ACD/IUPAC Name]
Pentanoic acid, (8α,9β,10α,11α,13α,14β,16α,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Valérate de (8α,9β,10α,11α,13α,14β,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: 1.2±0.1 g/cm3
Boiling Point: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 321.2±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 491.47
ACD/KOC (pH 5.5): 2938.84
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 491.46
ACD/KOC (pH 7.4): 2938.76
Polar Surface Area: 101 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 382.4±5.0 cm3

Click to predict properties on the Chemicalize site


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