ChemSpider 2D Image | (7alpha,8xi,9xi,14xi,17beta)-17-Hydroxy-7-methylestr-4-en-3-one | C19H28O2

(7α,8ξ,9ξ,14ξ,17β)-17-Hydroxy-7-methylestr-4-en-3-one

  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID23158727

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(7α,8ξ,9ξ,14ξ,17β)-17-Hydroxy-7-methylestr-4-en-3-on [German] [ACD/IUPAC Name]
(7α,8ξ,9ξ,14ξ,17β)-17-Hydroxy-7-methylestr-4-en-3-one [ACD/IUPAC Name]
(7α,8ξ,9ξ,14ξ,17β)-17-Hydroxy-7-méthylestr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-hydroxy-7-methyl-, (7α,8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
(2R,9R,14S,15S)-14-hydroxy-9,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
17-Hydroxy-7,13-dimethyl-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: 1.1±0.1 g/cm3
Boiling Point: 439.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 187.3±21.3 °C
Index of Refraction: 1.558
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.98
ACD/KOC (pH 5.5): 1128.04
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.98
ACD/KOC (pH 7.4): 1128.04
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 257.8±5.0 cm3

Click to predict properties on the Chemicalize site


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