ChemSpider 2D Image | (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-({[fluoro(~2~H_2_)methyl]sulfanyl}carbonyl)-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-(~2~H_3_)furancarboxylate | C27H24D5F3O6S

(6α,11β,16α,17α)-6,9-Difluoro-17-({[fluoro(2H2)methyl]sulfanyl}carbonyl)-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-(2H3)furancarboxylate

  • Molecular FormulaC27H24D5F3O6S
  • Average mass543.607 Da
  • Monoisotopic mass543.195068 Da
  • ChemSpider ID58784387

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6α,11β,16α,17α)-6,9-Difluor-17-({[fluor(2H2)methyl]sulfanyl}carbonyl)-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl-2-(2H3)furancarboxylat [German] [ACD/IUPAC Name]
(6α,11β,16α,17α)-6,9-Difluoro-17-({[fluoro(2H2)methyl]sulfanyl}carbonyl)-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-(2H3)furancarboxylate [ACD/IUPAC Name]
2-(2H3)Furanecarboxylate de (6α,11β,16α,17α)-6,9-difluoro-17-({[fluoro(2H2)méthyl]sulfanyl}carbonyl)-11-hydroxy-16-méthyl-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
2-Furan-d3-carboxylic acid, (6α,11β,16α,17α)-6,9-difluoro-17-[[(fluoromethyl-d2)thio]carbonyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 475.81
ACD/KOC (pH 5.5): 2871.51
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 475.81
ACD/KOC (pH 7.4): 2871.49
Polar Surface Area: 119 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

Click to predict properties on the Chemicalize site


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