ChemSpider 2D Image | (5alpha,8xi,9xi,14xi)-17-(3-Pyridinyl)androst-16-en-3-one | C24H31NO

(5α,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androst-16-en-3-one

  • Molecular FormulaC24H31NO
  • Average mass349.509 Da
  • Monoisotopic mass349.240570 Da
  • ChemSpider ID23171698

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(5α,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androst-16-en-3-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androst-16-en-3-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androst-16-én-3-one [French] [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ)-17-(pyridin-3-yl)androst-16-en-3-one
Androst-16-en-3-one, 17-(3-pyridinyl)-, (5α,8ξ,9ξ,14ξ)- [ACD/Index Name]
(5S,10S,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,10,11,12,13,14,15-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: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 250.0±36.1 °C
Index of Refraction: 1.565
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1274.90
ACD/KOC (pH 5.5): 5043.48
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2085.78
ACD/KOC (pH 7.4): 8251.30
Polar Surface Area: 30 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

Click to predict properties on the Chemicalize site


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