ChemSpider 2D Image | 6α-Methyl Prednisone 21-Acetate | C24H30O6

6α-Methyl Prednisone 21-Acetate

  • Molecular FormulaC24H30O6
  • Average mass414.491 Da
  • Monoisotopic mass414.204254 Da
  • ChemSpider ID23976115

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6α)-17-Hydroxy-6-methyl-3,11,20-trioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(6α)-17-Hydroxy-6-methyl-3,11,20-trioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
115321-98-7 [RN]
6α-Methyl Prednisone 21-Acetate
Acétate de (6α)-17-hydroxy-6-méthyl-3,11,20-trioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6α)- [ACD/Index Name]
(6a)-
[2-[(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
6&α;-Methyl Prednisone 21-Acetate
6??-Methyl Prednisone 21-Acetate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 584.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 198.1±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.14
ACD/KOC (pH 5.5): 780.75
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.14
ACD/KOC (pH 7.4): 780.74
Polar Surface Area: 98 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 328.3±5.0 cm3

Click to predict properties on the Chemicalize site


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