ChemSpider 2D Image | Allyltestosterone | C22H32O2

Allyltestosterone

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID58190189

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8R,9S,10R,13S,14S,17S)-17-Allyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on (non-preferred name) [German] [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17S)-17-Allyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17S)-17-Allyl-17-hydroxy-10,13-diméthyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one (non-preferred name) [French] [ACD/IUPAC Name]
17α-allylandrost-4-en-17β-ol-3-one
17α-allyltestosterone
Allyltestosterone [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 191.8±21.3 °C
Index of Refraction: 1.557
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 647.02
ACD/KOC (pH 5.5): 3578.12
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 647.02
ACD/KOC (pH 7.4): 3578.12
Polar Surface Area: 37 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

Click to predict properties on the Chemicalize site


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