ChemSpider 2D Image | (6alpha,11alpha)-21-Acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate | C27H34F2O7

(6α,11α)-21-Acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate

  • Molecular FormulaC27H34F2O7
  • Average mass508.552 Da
  • Monoisotopic mass508.227264 Da
  • ChemSpider ID62325195

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11α)-21-Acetoxy-6,9-difluor-11-hydroxy-3,20-dioxopregna-1,4-dien-17-ylbutyrat [German] [ACD/IUPAC Name]
(6α,11α)-21-Acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate [ACD/IUPAC Name]
(6α,11α,14β,17α)-21-Acetoxy-6,9-difluor-11-hydroxy-3,20-dioxopregna-1,4-dien-17-ylbutyrat [German] [ACD/IUPAC Name]
(6α,11α,14β,17α)-21-Acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate [ACD/IUPAC Name]
Butanoic acid, (6α,11α)-21-(acetyloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Butanoic acid, (6α,11α,14β,17α)-21-(acetyloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Butyrate de (6α,11α)-21-acétoxy-6,9-difluoro-11-hydroxy-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Butyrate de (6α,11α,14β,17α)-21-acétoxy-6,9-difluoro-11-hydroxy-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.31
ACD/KOC (pH 5.5): 1282.52
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.31
ACD/KOC (pH 7.4): 1282.51
Polar Surface Area: 107 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

Click to predict properties on the Chemicalize site


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