ChemSpider 2D Image | (13xi,17alpha)-3-(Cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-yl acetate | C27H36O3

(13ξ,17α)-3-(Cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-yl acetate

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID58817005
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(13ξ,17α)-3-(Cyclopentyloxy)-19-norpregna-3,5-dien-20-in-17-yl-acetat [German] [ACD/IUPAC Name]
(13ξ,17α)-3-(Cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-yl acetate [ACD/IUPAC Name]
Acétate de (13ξ,17α)-3-(cyclopentyloxy)-19-norprégna-3,5-dién-20-yn-17-yle [French] [ACD/IUPAC Name]
Estra-3,5-dien-17-ol, 3-(cyclopentyloxy)-17-ethynyl-, acetate, (13ξ,17β)- [ACD/Index Name]
3000-39-3 [RN]
Quingestanol acetate [USAN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 229.3±24.7 °C
Index of Refraction: 1.565
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16006.44
ACD/KOC (pH 5.5): 35564.90
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16006.44
ACD/KOC (pH 7.4): 35564.90
Polar Surface Area: 36 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

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