ChemSpider 2D Image | (5beta,8alpha,16E)-16-[4-(Dimethylamino)benzylidene]androstan-17-one | C28H39NO

(5β,8α,16E)-16-[4-(Dimethylamino)benzylidene]androstan-17-one

  • Molecular FormulaC28H39NO
  • Average mass405.615 Da
  • Monoisotopic mass405.303162 Da
  • ChemSpider ID62530714

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,8α,10α,13α,14β,16E)-16-[4-(Dimethylamino)benzyliden]androstan-17-on [German] [ACD/IUPAC Name]
(5α,8α,10α,13α,14β,16E)-16-[4-(Dimethylamino)benzylidene]androstan-17-one [ACD/IUPAC Name]
(5α,8α,10α,13α,14β,16E)-16-[4-(Diméthylamino)benzylidène]androstan-17-one [French] [ACD/IUPAC Name]
(5β,8α,16E)-16-[4-(Dimethylamino)benzyliden]androstan-17-on [German] [ACD/IUPAC Name]
(5β,8α,16E)-16-[4-(Dimethylamino)benzylidene]androstan-17-one [ACD/IUPAC Name]
(5β,8α,16E)-16-[4-(Diméthylamino)benzylidène]androstan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one, 16-[[4-(dimethylamino)phenyl]methylene]-, (5α,8α,10α,13α,14β,16E)- [ACD/Index Name]
Androstan-17-one, 16-[[4-(dimethylamino)phenyl]methylene]-, (5β,8α,16E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 200.9±16.4 °C
Index of Refraction: 1.589
Molar Refractivity: 126.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 205576.30
ACD/KOC (pH 5.5): 214789.55
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 227341.38
ACD/KOC (pH 7.4): 237530.06
Polar Surface Area: 20 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 376.4±3.0 cm3

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