Found 1 result

Search term: FPFITAPEARIFHY-NBSQGIEASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (8xi,11beta,14xi,17beta)-17-Hydroxy-11-octylestra-4,9-dien-3-one | C26H40O2

(8ξ,11β,14ξ,17β)-17-Hydroxy-11-octylestra-4,9-dien-3-one

  • Molecular FormulaC26H40O2
  • Average mass384.595 Da
  • Monoisotopic mass384.302826 Da
  • ChemSpider ID23252398

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(8ξ,11β,14ξ,17β)-17-Hydroxy-11-octylestra-4,9-dien-3-on [German] [ACD/IUPAC Name]
(8ξ,11β,14ξ,17β)-17-Hydroxy-11-octylestra-4,9-dien-3-one [ACD/IUPAC Name]
(8ξ,11β,14ξ,17β)-17-Hydroxy-11-octylestra-4,9-dién-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-hydroxy-11-octyl-, (8ξ,11β,14ξ,17β)- [ACD/Index Name]
17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
CHEMBL186467

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 229.4±22.7 °C
Index of Refraction: 1.546
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 141904.80
ACD/KOC (pH 5.5): 169580.84
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 141904.80
ACD/KOC (pH 7.4): 169580.84
Polar Surface Area: 37 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 362.9±5.0 cm3

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