ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol | C24H31NO

(3β,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol

  • Molecular FormulaC24H31NO
  • Average mass349.509 Da
  • Monoisotopic mass349.240570 Da
  • ChemSpider ID23167408

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-(3-Pyridinyl)androsta-5,16-dién-3-ol [French] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol
Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3β,8ξ,9ξ,14ξ)- [ACD/Index Name]
(3b)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol
(3S,10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
(3S,8S,10R,12R,14S,15S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Abiraterone [BAN] [INN] [Wiki]

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

CB 7598 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.3±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2026.95
ACD/KOC (pH 5.5): 7040.65
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3296.54
ACD/KOC (pH 7.4): 11450.63
Polar Surface Area: 33 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 305.2±5.0 cm3

Click to predict properties on the Chemicalize site


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