ChemSpider 2D Image | 3-Oxo(2,2,4,6,6,10,16,16-~2~H_8_)-19-norpregn-4-en-20-yn-17-yl acetate | C22H20D8O3

3-Oxo(2,2,4,6,6,10,16,16-2H8)-19-norpregn-4-en-20-yn-17-yl acetate

  • Molecular FormulaC22H20D8O3
  • Average mass348.505 Da
  • Monoisotopic mass348.254059 Da
  • ChemSpider ID107446427

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-Oxo(2,2,4,6,6,10,16,16-2H8)-19-norpregn-4-en-20-in-17-yl-acetat [German] [ACD/IUPAC Name]
3-Oxo(2,2,4,6,6,10,16,16-2H8)-19-norpregn-4-en-20-yn-17-yl acetate [ACD/IUPAC Name]
Acétate de 3-oxo(2,2,4,6,6,10,16,16-2H8)-19-norprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Estr-4-en-3-one-2,2,4,6,6,10,16,16-d8, 17-(acetyloxy)-17-ethynyl-, (17α)- [ACD/Index Name]

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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