ChemSpider 2D Image | (6alpha,11beta,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate | C27H36F2O6

(6α,11β,16α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate

  • Molecular FormulaC27H36F2O6
  • Average mass494.568 Da
  • Monoisotopic mass494.247986 Da
  • ChemSpider ID114553450

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,11β,16α)-6,9-Difluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylvalerat [German] [ACD/IUPAC Name]
(6α,11β,16α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate [ACD/IUPAC Name]
Pentanoic acid, (6α,11β,16α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Valérate de (6α,11β,16α)-6,9-difluoro-11,17-dihydroxy-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: 1.3±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.27
ACD/KOC (pH 5.5): 2263.57
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.25
ACD/KOC (pH 7.4): 2263.48
Polar Surface Area: 101 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 387.8±5.0 cm3

Click to predict properties on the Chemicalize site


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