ChemSpider 2D Image | (8alpha,14beta)-3-Oxo-19-norpregn-4-en-20-yn-17-yl heptanoate | C27H38O3

(8α,14β)-3-Oxo-19-norpregn-4-en-20-yn-17-yl heptanoate

  • Molecular FormulaC27H38O3
  • Average mass410.589 Da
  • Monoisotopic mass410.282104 Da
  • ChemSpider ID62491364

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,14β)-3-Oxo-19-norpregn-4-en-20-in-17-yl-heptanoat [German] [ACD/IUPAC Name]
(8α,14β)-3-Oxo-19-norpregn-4-en-20-yn-17-yl heptanoate [ACD/IUPAC Name]
(8α,9β,10α,14β)-3-Oxo-19-norpregn-4-en-20-in-17-yl-heptanoat [German] [ACD/IUPAC Name]
(8α,9β,10α,14β)-3-Oxo-19-norpregn-4-en-20-yn-17-yl heptanoate [ACD/IUPAC Name]
Heptanoate de (8α,14β)-3-oxo-19-norprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Heptanoate de (8α,9β,10α,14β)-3-oxo-19-norprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (8α,14β,17β)-17-ethynyl-3-oxoestr-4-en-17-yl ester [ACD/Index Name]
Heptanoic acid, (8α,9β,10α,14β,17α)-17-ethynyl-3-oxoestr-4-en-17-yl ester [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: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 219.0±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51449.20
ACD/KOC (pH 5.5): 82032.64
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51449.20
ACD/KOC (pH 7.4): 82032.64
Polar Surface Area: 43 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site


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