ChemSpider 2D Image | (3beta,13xi)-3-Iodocholest-5-ene | C27H45I

(3β,13ξ)-3-Iodocholest-5-ene

  • Molecular FormulaC27H45I
  • Average mass496.551 Da
  • Monoisotopic mass496.256592 Da
  • ChemSpider ID58816985

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,13ξ)-3-Iodcholest-5-en [German] [ACD/IUPAC Name]
(3β,13ξ)-3-Iodocholest-5-ene [ACD/IUPAC Name]
(3β,13ξ)-3-Iodocholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 3-iodo-, (3β,13ξ)- [ACD/Index Name]
2930-80-5 [RN]
cholesteryl iodide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 207.7±17.2 °C
Index of Refraction: 1.548
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 12.05
ACD/LogD (pH 5.5): 10.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

Click to predict properties on the Chemicalize site


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