ChemSpider 2D Image | (8xi,9xi,14xi)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-phenylpropanoate | C33H42O5

(8ξ,9ξ,14ξ)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-phenylpropanoate

  • Molecular FormulaC33H42O5
  • Average mass518.684 Da
  • Monoisotopic mass518.303223 Da
  • ChemSpider ID17460937

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-phenylpropanoate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl-3-phenylpropanoat [German] [ACD/IUPAC Name]
3-Phénylpropanoate de (8ξ,9ξ,14ξ)-17-acétoxy-6-méthyl-20-oxoprégna-4,6-dién-3-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, (8ξ,9ξ,14ξ)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-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: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 253.1±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79565.16
ACD/KOC (pH 5.5): 112077.29
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79565.16
ACD/KOC (pH 7.4): 112077.29
Polar Surface Area: 70 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 446.7±5.0 cm3

Click to predict properties on the Chemicalize site


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