ChemSpider 2D Image | N~2~-(2,3,5-Triiodobenzoyl)-L-asparagine | C11H9I3N2O4

N2-(2,3,5-Triiodobenzoyl)-L-asparagine

  • Molecular FormulaC11H9I3N2O4
  • Average mass613.914 Da
  • Monoisotopic mass613.769592 Da
  • ChemSpider ID43714494

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Asparagine, N2-(2,3,5-triiodobenzoyl)- [ACD/Index Name]
N2-(2,3,5-Triiodbenzoyl)-L-asparagin [German] [ACD/IUPAC Name]
N2-(2,3,5-Triiodobenzoyl)-L-asparagine [ACD/IUPAC Name]
N2-(2,3,5-Triiodobenzoyl)-L-asparagine [French] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 241.3±3.0 cm3

Click to predict properties on the Chemicalize site


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