Found 18 results

Search term: MF = 'C_{22}H_{29}BrO_{2}'
ChemSpider 2D Image | (13S,17S)-17-(4-Bromo-1-butyn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one | C22H29BrO2

(13S,17S)-17-(4-Bromo-1-butyn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC22H29BrO2
  • Average mass405.368 Da
  • Monoisotopic mass404.135071 Da
  • ChemSpider ID23108065

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(13S,17S)-17-(4-Brom-1-butin-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(13S,17S)-17-(4-Bromo-1-butyn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(13S,17S)-17-(4-Bromo-1-butyn-1-yl)-17-hydroxy-13-méthyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-(4-bromo-1-butyn-1-yl)-17-hydroxy-, (8ξ,9ξ,10ξ,14ξ,17β)- [ACD/Index Name]
(8ξ,9ξ,10ξ,14ξ,17β)-17-(4-bromobut-1-yn-1-yl)-17-hydroxyestr-4-en-3-one
17-(4-Bromo-but-1-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.75
ACD/KOC (pH 5.5): 4238.50
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.74
ACD/KOC (pH 7.4): 4238.49
Polar Surface Area: 37 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 302.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement