ChemSpider 2D Image | N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]glycine | C13H12I3N3O5

N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]glycine

  • Molecular FormulaC13H12I3N3O5
  • Average mass670.965 Da
  • Monoisotopic mass670.791077 Da
  • ChemSpider ID45057

More details:

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

Glycine, N-[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]- [ACD/Index Name]
N-[3-Acetamido-2,4,6-triiod-5-(methylcarbamoyl)benzoyl]glycin [German] [ACD/IUPAC Name]
N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]glycine [ACD/IUPAC Name]
N-[3-Acétamido-2,4,6-triiodo-5-(méthylcarbamoyl)benzoyl]glycine [French] [ACD/IUPAC Name]
67227-34-3 [RN]
Glycin, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)glycin

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

Density: 2.4±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.736
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

Click to predict properties on the Chemicalize site


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