ChemSpider 2D Image | Ioxitalamic acid | C12H11I3N2O5

Ioxitalamic acid

  • Molecular FormulaC12H11I3N2O5
  • Average mass643.940 Da
  • Monoisotopic mass643.780151 Da
  • ChemSpider ID31782

More details:

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

248-887-5 [EINECS]
28179-44-4 [RN]
3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
3-(Acetylamino)-5-{[(2-hydroxyethyl)amino]carbonyl}-2,4,6-triiodobenzoic acid
3-[(E)-(1-Hydroxyethyliden)amino]-5-{(Z)-hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-[(E)-(1-Hydroxyethylidene)amino]-5-{(Z)-hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-[(E)-(1-hydroxyéthylidène)amino]-5-{(Z)-hydroxy[(2-hydroxyéthyl)imino]méthyl}-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Acide 3-acétamido-5-[(2-hydroxyéthyl)carbamoyl]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2742 [DBID]
967RDI7Z6K [DBID]
AG 58107 [DBID]
UNII:967RDI7Z6K [DBID]
UNII-967RDI7Z6K [DBID]

    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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