ChemSpider 2D Image | 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate | C13H12I3N3O5

2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate

  • Molecular FormulaC13H12I3N3O5
  • Average mass670.965 Da
  • Monoisotopic mass670.791077 Da
  • ChemSpider ID8137025

More details:

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

2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate [ACD/IUPAC Name]
2-Amino-2-oxoethyl-3,5-diacetamido-2,4,6-triiodbenzoat [German] [ACD/IUPAC Name]
3,5-Diacétamido-2,4,6-triiodobenzoate de 2-amino-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, 2-amino-2-oxoethyl ester [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.756
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.72
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 80.72
Polar Surface Area: 128 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

Click to predict properties on the Chemicalize site


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