ChemSpider 2D Image | 17-Hydroxy-21-iodopregna-4,9(11)-diene-3,20-dione | C21H27IO3

17-Hydroxy-21-iodopregna-4,9(11)-diene-3,20-dione

  • Molecular FormulaC21H27IO3
  • Average mass454.342 Da
  • Monoisotopic mass454.100494 Da
  • ChemSpider ID107451168

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

17-Hydroxy-21-iodopregna-4,9(11)-diene-3,20-dione [ACD/IUPAC Name]
17-Hydroxy-21-iodoprégna-4,9(11)-diène-3,20-dione [French] [ACD/IUPAC Name]
17-Hydroxy-21-iodpregna-4,9(11)-dien-3,20-dion [German] [ACD/IUPAC Name]
Pregna-4,9(11)-diene-3,20-dione, 17-hydroxy-21-iodo- [ACD/Index Name]
95816-38-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 548.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.4±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.90
ACD/KOC (pH 5.5): 2639.16
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.90
ACD/KOC (pH 7.4): 2639.14
Polar Surface Area: 54 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 298.5±5.0 cm3

Click to predict properties on the Chemicalize site


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