ChemSpider 2D Image | (3beta)-3-[(3-Iodobenzyl)oxy]cholest-5-ene | C34H51IO

(3β)-3-[(3-Iodobenzyl)oxy]cholest-5-ene

  • Molecular FormulaC34H51IO
  • Average mass602.673 Da
  • Monoisotopic mass602.298462 Da
  • ChemSpider ID116006

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(3-Iodbenzyl)oxy]cholest-5-en [German] [ACD/IUPAC Name]
(3β)-3-[(3-Iodobenzyl)oxy]cholest-5-ene [ACD/IUPAC Name]
(3β)-3-[(3-Iodobenzyl)oxy]cholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 3-((3-iodophenyl)methoxy)-, (3β)-
Cholest-5-ene, 3-[(3-iodophenyl)methoxy]-, (3β)- [ACD/Index Name]
130504-76-6 [RN]
3-Cibe
Cholest-5-ene,3-[(3-iodophenyl)methoxy]-, (3b)- (9CI)
cholesteryl-3-iodobenzyl ether

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 314.6±28.2 °C
Index of Refraction: 1.572
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 13.59
ACD/LogD (pH 5.5): 11.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

Click to predict properties on the Chemicalize site


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