ChemSpider 2D Image | (13alpha)-3-Oxo-19-norpregn-4-en-20-yn-17-yl acetate | C22H28O3

(13α)-3-Oxo-19-norpregn-4-en-20-yn-17-yl acetate

  • Molecular FormulaC22H28O3
  • Average mass340.456 Da
  • Monoisotopic mass340.203857 Da
  • ChemSpider ID110805064

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(13α)-3-Oxo-19-norpregn-4-en-20-in-17-yl-acetat [German] [ACD/IUPAC Name]
(13α)-3-Oxo-19-norpregn-4-en-20-yn-17-yl acetate [ACD/IUPAC Name]
(1S,3aS,3bR,9aR,9bS,11aR)-1-ethynyl-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
51-98-9 [RN]
Acétate de (13α)-3-oxo-19-norprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-(acetyloxy)-17-ethynyl-, (13α,17α)- [ACD/Index Name]
38673-38-0 [RN]
ENTA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 197.1±28.8 °C
Index of Refraction: 1.556
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 395.07
ACD/KOC (pH 5.5): 2513.66
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 395.07
ACD/KOC (pH 7.4): 2513.66
Polar Surface Area: 43 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 296.1±5.0 cm3

Click to predict properties on the Chemicalize site


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