ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta)-3-Oxopregn-4-en-20-yn-17-yl acetate | C23H30O3

(8α,9β,10α,13α,14β)-3-Oxopregn-4-en-20-yn-17-yl acetate

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID110092055

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β)-3-Oxopregn-4-en-20-in-17-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β)-3-Oxopregn-4-en-20-yn-17-yl acetate [ACD/IUPAC Name]
Acétate de (8α,9β,10α,13α,14β)-3-oxoprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Pregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (8α,9β,10α,13α,14β)- [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: 455.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 196.4±28.8 °C
Index of Refraction: 1.552
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 866.80
ACD/KOC (pH 5.5): 4411.25
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 866.80
ACD/KOC (pH 7.4): 4411.25
Polar Surface Area: 43 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 312.1±5.0 cm3

Click to predict properties on the Chemicalize site


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