ChemSpider 2D Image | (9beta,11beta,16alpha)-17-Hydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-~2~H_5_)-9,11-epoxypregna-1,4-dien-21-yl acetate | C24H25D5O6

(9β,11β,16α)-17-Hydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)-9,11-epoxypregna-1,4-dien-21-yl acetate

  • Molecular FormulaC24H25D5O6
  • Average mass419.522 Da
  • Monoisotopic mass419.235626 Da
  • ChemSpider ID77499167

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9β,11β,16α)-17-Hydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)-9,11-epoxypregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(9β,11β,16α)-17-Hydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)-9,11-epoxypregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (9β,11β,16α)-17-hydroxy-16-méthyl-3,20-dioxo(4,6,6,21,21-2H5)-9,11-époxyprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-4,6,6,21,21-d5, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-16-methyl-, (9β,11β,16α)- [ACD/Index 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: 575.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 195.8±23.6 °C
Index of Refraction: 1.591
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.30
ACD/KOC (pH 5.5): 615.27
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.30
ACD/KOC (pH 7.4): 615.27
Polar Surface Area: 93 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

Click to predict properties on the Chemicalize site


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