ChemSpider 2D Image | (8xi,10xi,13xi)-3-Oxoestr-4-en-17-yl 3-phenylpropanoate | C27H34O3

(8ξ,10ξ,13ξ)-3-Oxoestr-4-en-17-yl 3-phenylpropanoate

  • Molecular FormulaC27H34O3
  • Average mass406.557 Da
  • Monoisotopic mass406.250793 Da
  • ChemSpider ID23089250

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ)-3-Oxoestr-4-en-17-yl 3-phenylpropanoate [ACD/IUPAC Name]
(8ξ,10ξ,13ξ)-3-Oxoestr-4-en-17-yl-3-phenylpropanoat [German] [ACD/IUPAC Name]
3-Phénylpropanoate de (8ξ,10ξ,13ξ)-3-oxoestr-4-én-17-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, (8ξ,10ξ,13ξ)-3-oxoestr-4-en-17-yl ester [ACD/Index Name]
MFCD00198407 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 234.6±30.2 °C
Index of Refraction: 1.577
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7350.54
ACD/KOC (pH 5.5): 20375.23
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7350.54
ACD/KOC (pH 7.4): 20375.23
Polar Surface Area: 43 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 354.0±5.0 cm3

Click to predict properties on the Chemicalize site


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