ChemSpider 2D Image | Reverse triiodothyronine | C15H12I3NO4

Reverse triiodothyronine

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID559294

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,3',5'-Triiodo-L-thyronine
5817-39-0 [RN]
8NZ4Y08T96
MFCD00036864 [MDL number]
O-(4-Hydroxy-3,5-diiodophenyl)-3-iodotyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodophényl)-3-iodotyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodphenyl)-3-iodtyrosin [German] [ACD/IUPAC Name]
Reverse T3
Reverse triiodothyronine [Wiki]
rT(3)
More...

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

C07639 [DBID]
CHEBI:11684 [DBID]

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

    Density: 2.4±0.1 g/cm3
    Boiling Point: 534.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 277.1±30.1 °C
    Index of Refraction: 1.763
    Molar Refractivity: 112.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.39
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 2.96
    ACD/KOC (pH 5.5): 14.66
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 1.13
    ACD/KOC (pH 7.4): 5.58
    Polar Surface Area: 93 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 75.9±3.0 dyne/cm
    Molar Volume: 272.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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