ChemSpider 2D Image | 19-Iodocholesterol 3-acetate | C29H47IO2

19-Iodocholesterol 3-acetate

  • Molecular FormulaC29H47IO2
  • Average mass554.587 Da
  • Monoisotopic mass554.262085 Da
  • ChemSpider ID167820

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-19-Iodcholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3β)-19-Iodocholest-5-en-3-yl acetate [ACD/IUPAC Name]
19-IODO-5-CHOLESTEN-3β-OL 3-ACETATE
19-IODO-5-CHOLESTEN-3β-OL 3-ACETATE
19-Iodocholest-5-en-3β-ol acetate
19-Iodocholesterol 3-acetate
4561-90-4 [RN]
5-Cholesten-19-iodo-3β-ol 3-acetate
Acétate de (3β)-19-iodocholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, 19-iodo-, acetate, (3β)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I8255_SIGMA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.2±33.0 °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: 285.3±25.4 °C
Index of Refraction: 1.547
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.99
ACD/LogD (pH 5.5): 9.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4521375.50
ACD/LogD (pH 7.4): 9.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4521375.50
Polar Surface Area: 26 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 449.0±5.0 cm3

Click to predict properties on the Chemicalize site


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