ChemSpider 2D Image | (17beta)-3-Oxoestr-4-en-17-yl (~2~H_19_)decanoate | C28H25D19O3

(17β)-3-Oxoestr-4-en-17-yl (2H19)decanoate

  • Molecular FormulaC28H25D19O3
  • Average mass447.764 Da
  • Monoisotopic mass447.448303 Da
  • ChemSpider ID58783122
  • 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

(2H19)Décanoate de (17β)-3-oxoestr-4-én-17-yle [French] [ACD/IUPAC Name]
(17β)-3-Oxoestr-4-en-17-yl (2H19)decanoate [ACD/IUPAC Name]
(17β)-3-Oxoestr-4-en-17-yl-(2H19)decanoat [German] [ACD/IUPAC Name]
Decanoic-d19 acid, (17β)-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: 1.0±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 226.8±30.2 °C
Index of Refraction: 1.525
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 762992.38
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 762992.38
Polar Surface Area: 43 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 408.3±5.0 cm3

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