ChemSpider 2D Image | (6alpha,8xi,9xi,10xi,13xi,14xi)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate | C24H32O6

(6α,8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID22889290

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(6α,8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(6α,8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (6α,8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-dihydroxy-6-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6α,8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
53-36-1 [RN]
6-Methyl Prednisolone Acetate
Acetic acid 2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester
Methylprednisolone acetate

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


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