ChemSpider 2D Image | (3beta,8alpha,9beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate | C26H33NO2

(3β,8α,9β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate

  • Molecular FormulaC26H33NO2
  • Average mass391.546 Da
  • Monoisotopic mass391.251129 Da
  • ChemSpider ID29314952

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,8α,9β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
(3β,8α,9β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,8α,9β)-17-(3-pyridinyl)androsta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3β,8α,9β)- [ACD/Index Name]
Abiraterone Acetate (CB7630)
CB 7630, CB-7630

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 10434.96
ACD/KOC (pH 5.5): 22731.74
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17020.97
ACD/KOC (pH 7.4): 37078.84
Polar Surface Area: 39 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 343.0±5.0 cm3

Click to predict properties on the Chemicalize site


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