ChemSpider 2D Image | (6beta,9xi,11beta)-11,17-Dihydroxy-6-methyl-3,20-dioxo(2,4,6,9,12,12-~2~H_6_)pregna-1,4-dien-21-yl acetate | C24H26D6O6

(6β,9ξ,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxo(2,4,6,9,12,12-2H6)pregna-1,4-dien-21-yl acetate

  • Molecular FormulaC24H26D6O6
  • Average mass422.544 Da
  • Monoisotopic mass422.257538 Da
  • ChemSpider ID107446403

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6β,9ξ,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxo(2,4,6,9,12,12-2H6)pregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(6β,9ξ,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxo(2,4,6,9,12,12-2H6)pregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (6β,9ξ,11β)-11,17-dihydroxy-6-méthyl-3,20-dioxo(2,4,6,9,12,12-2H6)prégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-2,4,6,9,12,12-d6, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6β,9ξ,11β)- [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: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 196.5±23.6 °C
Index of Refraction: 1.580
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.98
ACD/KOC (pH 5.5): 675.30
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.98
ACD/KOC (pH 7.4): 675.29
Polar Surface Area: 101 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement