ChemSpider 2D Image | 3,11,20-Trioxopregn-4-en-21-yl pivalate | C26H36O5

3,11,20-Trioxopregn-4-en-21-yl pivalate

  • Molecular FormulaC26H36O5
  • Average mass428.561 Da
  • Monoisotopic mass428.256287 Da
  • ChemSpider ID21164491

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

284-844-7 [EINECS]
3,11,20-Trioxopregn-4-en-21-yl pivalate [ACD/IUPAC Name]
3,11,20-Trioxopregn-4-en-21-ylpivalat [German] [ACD/IUPAC Name]
84963-41-7 [RN]
Pivalate de 3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-
Propanoic acid, 2,2-dimethyl-, 3,11,20-trioxopregn-4-en-21-yl ester [ACD/Index Name]
21-hydroxypregn-4-ene-3,11,20-trione 21-pivalate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 563.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 240.8±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 116.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.28
ACD/KOC (pH 5.5): 1930.78
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.28
ACD/KOC (pH 7.4): 1930.78
Polar Surface Area: 78 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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