ChemSpider 2D Image | 6-Methylene-3,20-dioxopregn-4-ene-17,21-diyl diacetate | C26H34O6

6-Methylene-3,20-dioxopregn-4-ene-17,21-diyl diacetate

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID22875391
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

6-Methylen-3,20-dioxopregn-4-en-17,21-diyl-diacetat [German] [ACD/IUPAC Name]
6-Methylene-3,20-dioxopregn-4-ene-17,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de 6-méthylène-3,20-dioxoprégn-4-ène-17,21-diyle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17,21-bis(acetyloxy)-6-methylene- [ACD/Index Name]
[2-[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((8R,9S,10R,13S,14S,17R)-17-acetoxy-10,13-dimethyl-6-methylene-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
80097-61-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 560.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 239.2±30.2 °C
Index of Refraction: 1.547
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 680.63
ACD/KOC (pH 5.5): 3710.22
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 680.63
ACD/KOC (pH 7.4): 3710.22
Polar Surface Area: 87 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 370.4±5.0 cm3

Click to predict properties on the Chemicalize site






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