ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl iodoacetate | C24H30FIO6

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

  • Molecular FormulaC24H30FIO6
  • Average mass560.394 Da
  • Monoisotopic mass560.107117 Da
  • ChemSpider ID19968980

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-iodacetat [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl iodoacetate [ACD/IUPAC Name]
1893-66-9 [RN]
Acetic acid, 2-iodo-, (11β,16α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Iodoacétate de (11β,16α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-21-((iodoacetyl)oxy)-16-methyl-, (11β,16α)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.7±6.0 kJ/mol
Flash Point: 342.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.22
ACD/KOC (pH 5.5): 1305.68
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.21
ACD/KOC (pH 7.4): 1305.64
Polar Surface Area: 101 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 353.8±5.0 cm3

Click to predict properties on the Chemicalize site


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