ChemSpider 2D Image | 3-Acetoxy-20-oxopregnan-16-yl 5-acetoxy-4-methylpentanoate | C31H48O7

3-Acetoxy-20-oxopregnan-16-yl 5-acetoxy-4-methylpentanoate

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID471350

More details:

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

3-Acetoxy-20-oxopregnan-16-yl 5-acetoxy-4-methylpentanoate [ACD/IUPAC Name]
3-Acetoxy-20-oxopregnan-16-yl-5-acetoxy-4-methylpentanoat [German] [ACD/IUPAC Name]
5-Acétoxy-4-méthylpentanoate de 3-acétoxy-20-oxoprégnan-16-yle [French] [ACD/IUPAC Name]
Pentanoic acid, 5-(acetyloxy)-4-methyl-, 3-(acetyloxy)-20-oxopregnan-16-yl ester [ACD/Index Name]
3-(Acetyloxy)-20-oxopregnan-16-yl 5-(acetyloxy)-4-methylpentanoate
Dihydropregnenolone, 16-[5-acetoxy-4-methyl-butyryloxy]-, acetate (ester)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 243.1±26.0 °C
Index of Refraction: 1.519
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15482.17
ACD/KOC (pH 5.5): 34727.14
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15482.17
ACD/KOC (pH 7.4): 34727.14
Polar Surface Area: 96 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 471.2±5.0 cm3

Click to predict properties on the Chemicalize site


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