ChemSpider 2D Image | (11beta,17beta)-11-(2-fluoro-4,6-dimethoxyphenyl)-17-hydroxy-17-(prop-1-yn-1-yl)estra-4,9-dien-3-one | C29H33FO4

(11β,17β)-11-(2-fluoro-4,6-dimethoxyphenyl)-17-hydroxy-17-(prop-1-yn-1-yl)estra-4,9-dien-3-one

  • Molecular FormulaC29H33FO4
  • Average mass464.568 Da
  • Monoisotopic mass464.236298 Da
  • ChemSpider ID23279842

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β,17β)-11-(2-fluoro-4,6-dimethoxyphenyl)-17-hydroxy-17-(prop-1-yn-1-yl)estra-4,9-dien-3-one
(8S,11S,13S,14S,17S)-11-(2-Fluor-4,6-dimethoxyphenyl)-17-hydroxy-13-methyl-17-(1-propin-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(8S,11S,13S,14S,17S)-11-(2-Fluoro-4,6-dimethoxyphenyl)-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8S,11S,13S,14S,17S)-11-(2-Fluoro-4,6-diméthoxyphényl)-17-hydroxy-13-méthyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 11-(2-fluoro-4,6-dimethoxyphenyl)-17-hydroxy-17-(1-propyn-1-yl)-, (11β,17β)- [ACD/Index Name]
(8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
CHEMBL221646

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.2±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4776.27
ACD/KOC (pH 5.5): 14965.27
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4776.25
ACD/KOC (pH 7.4): 14965.22
Polar Surface Area: 56 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


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