ChemSpider 2D Image | (3beta,8alpha,14beta)-17-Iodoandrosta-5,16-dien-3-yl acetate | C21H29IO2

(3β,8α,14β)-17-Iodoandrosta-5,16-dien-3-yl acetate

  • Molecular FormulaC21H29IO2
  • Average mass440.358 Da
  • Monoisotopic mass440.121216 Da
  • ChemSpider ID114815475

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,8α,14β)-17-Iodandrosta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,8α,14β)-17-Iodoandrosta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,8α,14β)-17-iodoandrosta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,16-dien-3-ol, 17-iodo-, acetate, (3β,8α,14β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 455.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.5±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38508.41
ACD/KOC (pH 5.5): 66669.02
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38508.41
ACD/KOC (pH 7.4): 66669.02
Polar Surface Area: 26 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 311.1±5.0 cm3

Click to predict properties on the Chemicalize site


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