ChemSpider 2D Image | (11beta)-17-Hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-yn-3-one | C24H26O2S

(11β)-17-Hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-yn-3-one

  • Molecular FormulaC24H26O2S
  • Average mass378.527 Da
  • Monoisotopic mass378.165344 Da
  • ChemSpider ID88298268

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β)-17-Hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-in-3-on [German] [ACD/IUPAC Name]
(11β)-17-Hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-yn-3-one [ACD/IUPAC Name]
(11β)-17-Hydroxy-11-(2-thiényl)-19-norprégna-4,9-dién-20-yn-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-ethynyl-17-hydroxy-11-(2-thienyl)-, (11β,17α)- [ACD/Index Name]
67983-56-6 [RN]

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

RU 25055 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1795.73
ACD/KOC (pH 5.5): 7429.91
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1795.73
ACD/KOC (pH 7.4): 7429.88
Polar Surface Area: 66 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

Click to predict properties on the Chemicalize site


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