ChemSpider 2D Image | 4-Acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate | C29H42O6

4-Acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID21166878

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

302-874-1 [EINECS]
4-Acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate [ACD/IUPAC Name]
4-Acetoxy-3,20-dioxopregn-4-en-17-yl-hexanoat [German] [ACD/IUPAC Name]
94135-06-5 [RN]
Hexanoate de 4-acétoxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Hexanoic acid, 4-(acetyloxy)-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Pregn-4-ene-3,20-dione, 4-(acetyloxy)-17-[(1-oxohexyl)oxy]-
4,17-dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 250.1±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12953.19
ACD/KOC (pH 5.5): 30565.22
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12953.19
ACD/KOC (pH 7.4): 30565.22
Polar Surface Area: 87 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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