ChemSpider 2D Image | DL-Diiodothyronine | C15H13I2NO4

DL-Diiodothyronine

  • Molecular FormulaC15H13I2NO4
  • Average mass525.077 Da
  • Monoisotopic mass524.893372 Da
  • ChemSpider ID110252

More details:

Featured data source
The Merck Index Online

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

DL-Diiodothyronine
213-867-7 [EINECS]
2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodphenyl]propansäure [German]
3,5-DIIODO-DL-THYRONINE
3,5-Diiodothyronine
3,5-DIIODOTHYRONINE, D-
3,5-DIIODOTHYRONINE, DL-
3,5-DIIODOTHYRONINE, L-
4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CAL3MRM51F [DBID]
NSC90468 [DBID]
NSC90469 [DBID]

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 559.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.6±3.0 kJ/mol
    Flash Point: 292.1±30.1 °C
    Index of Refraction: 1.726
    Molar Refractivity: 99.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.43
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.94
    Polar Surface Area: 93 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 250.6±3.0 cm3

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