ChemSpider 2D Image | 3,20-Dioxopregna-4,6-dien-17-yl 2-phenylbutanoate | C31H38O4

3,20-Dioxopregna-4,6-dien-17-yl 2-phenylbutanoate

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID59755496

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Phénylbutanoate de 3,20-dioxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
3,20-Dioxopregna-4,6-dien-17-yl 2-phenylbutanoate [ACD/IUPAC Name]
3,20-Dioxopregna-4,6-dien-17-yl-2-phenylbutanoat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-ethyl-, 3,20-dioxopregna-4,6-dien-17-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 254.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10260.66
ACD/KOC (pH 5.5): 25869.55
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10260.66
ACD/KOC (pH 7.4): 25869.55
Polar Surface Area: 60 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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