ChemSpider 2D Image | 3-Acetamido-5-{[2-hydroxy(~2~H_4_)ethyl]carbamoyl}-2,4,6-triiodobenzoic acid | C12H7D4I3N2O5

3-Acetamido-5-{[2-hydroxy(2H4)ethyl]carbamoyl}-2,4,6-triiodobenzoic acid

  • Molecular FormulaC12H7D4I3N2O5
  • Average mass647.964 Da
  • Monoisotopic mass647.805298 Da
  • ChemSpider ID48060057

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Acetamido-5-{[2-hydroxy(2H4)ethyl]carbamoyl}-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-{[2-hydroxy(2H4)ethyl]carbamoyl}-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-5-{[2-hydroxy(2H4)éthyl]carbamoyl}-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-5-[[(2-hydroxyethyl-1,1,2,2-d4)amino]carbonyl]-2,4,6-triiodo- [ACD/Index Name]
1185156-82-4 [RN]
3-acetamido-2,4,6-triiodo-5-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)carbamoyl]benzoic acid

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 582.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±3.0 kJ/mol
    Flash Point: 306.3±30.1 °C
    Index of Refraction: 1.768
    Molar Refractivity: 106.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -0.86
    ACD/LogD (pH 5.5): -1.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 82.2±3.0 dyne/cm
    Molar Volume: 255.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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