ChemSpider 2D Image | (6beta,11beta,16alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate | C27H36F2O5

(6β,11β,16α)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate

  • Molecular FormulaC27H36F2O5
  • Average mass478.569 Da
  • Monoisotopic mass478.253082 Da
  • ChemSpider ID114810885

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,11β,16α)-6,9-Difluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylvalerat [German] [ACD/IUPAC Name]
(6β,11β,16α)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate [ACD/IUPAC Name]
Pentanoic acid, (6β,11β,16α)-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Valérate de (6β,11β,16α)-6,9-difluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 303.7±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.96
ACD/KOC (pH 5.5): 3181.02
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.96
ACD/KOC (pH 7.4): 3181.01
Polar Surface Area: 81 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

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