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Search term: 111453-32-8 (Found by approved synonym)
ChemSpider 2D Image | 3-Amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoic acid | C11H11I3N2O5

3-Amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoic acid

  • Molecular FormulaC11H11I3N2O5
  • Average mass631.929 Da
  • Monoisotopic mass631.780151 Da
  • ChemSpider ID10002982

More details:

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

111453-32-8 [RN]
14000146 [Beilstein]
3-Amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid
Acide 3-amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodo- [ACD/Index Name]
QVR BI DI FI CZ EVM1YQ1Q [WLN]
3-amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
3-amino-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.6±0.1 g/cm3
    Boiling Point: 599.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.8±3.0 kJ/mol
    Flash Point: 316.1±30.1 °C
    Index of Refraction: 1.798
    Molar Refractivity: 102.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: -0.46
    ACD/LogD (pH 5.5): -2.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 94.4±3.0 dyne/cm
    Molar Volume: 239.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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