ChemSpider 2D Image | (6alpha,8xi,10xi,13xi,14xi,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate | C24H30F2O6

(6α,8ξ,10ξ,13ξ,14ξ,16α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate

  • Molecular FormulaC24H30F2O6
  • Average mass452.488 Da
  • Monoisotopic mass452.201050 Da
  • ChemSpider ID22889291

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(6α,8ξ,10ξ,13ξ,14ξ,16α)-6,9-Difluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
(6α,8ξ,10ξ,13ξ,14ξ,16α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
Acétate de (6α,8ξ,10ξ,13ξ,14ξ,16α)-6,9-difluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6α,8ξ,10ξ,13ξ,14ξ,16α)- [ACD/Index Name]
3826-17-3 [RN]
Acetic acid 2-(6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester
Acetyloxy diflorasone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.0±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: 305.2±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.16
ACD/KOC (pH 5.5): 676.65
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.16
ACD/KOC (pH 7.4): 676.63
Polar Surface Area: 101 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 339.5±5.0 cm3

Click to predict properties on the Chemicalize site


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