ChemSpider 2D Image | (6alpha,11beta)-17-(Butyryloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-21-yl 3-methylbutanoate | C30H40F2O7

(6α,11β)-17-(Butyryloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-21-yl 3-methylbutanoate

  • Molecular FormulaC30H40F2O7
  • Average mass550.631 Da
  • Monoisotopic mass550.274231 Da
  • ChemSpider ID107445644

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11β)-17-(Butyryloxy)-6,9-difluor-11-hydroxy-3,20-dioxopregna-1,4-dien-21-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
(6α,11β)-17-(Butyryloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-21-yl 3-methylbutanoate [ACD/IUPAC Name]
3-Méthylbutanoate de (6α,11β)-17-(butyryloxy)-6,9-difluoro-11-hydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (6α,11β)-6,9-difluoro-11-hydroxy-3,20-dioxo-17-(1-oxobutoxy)pregna-1,4-dien-21-yl ester [ACD/Index Name]
204273-42-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1146.57
ACD/KOC (pH 5.5): 5389.13
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1146.56
ACD/KOC (pH 7.4): 5389.09
Polar Surface Area: 107 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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