Found 1 result

Search term: QPIUHLBKRNGNER-UYNVQHERSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (8xi,11beta,14xi,17beta)-11-Decyl-17-hydroxyestra-4,9-dien-3-one | C28H44O2

(8ξ,11β,14ξ,17β)-11-Decyl-17-hydroxyestra-4,9-dien-3-one

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID23252410

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(8ξ,11β,14ξ,17β)-11-Decyl-17-hydroxyestra-4,9-dien-3-on [German] [ACD/IUPAC Name]
(8ξ,11β,14ξ,17β)-11-Decyl-17-hydroxyestra-4,9-dien-3-one [ACD/IUPAC Name]
(8ξ,11β,14ξ,17β)-11-Décyl-17-hydroxyestra-4,9-dién-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 11-decyl-17-hydroxy-, (8ξ,11β,14ξ,17β)- [ACD/Index Name]
11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
CHEMBL186254

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

Density: 1.0±0.1 g/cm3
Boiling Point: 566.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 237.6±22.7 °C
Index of Refraction: 1.541
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 973640.31
ACD/KOC (pH 5.5): 673075.81
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 973640.31
ACD/KOC (pH 7.4): 673075.81
Polar Surface Area: 37 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 395.2±5.0 cm3

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