ChemSpider 2D Image | O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-(beta,beta,2,6-~2~H_4_)tyrosine | C15H8D4I3NO4

O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-(β,β,2,6-2H4)tyrosine

  • Molecular FormulaC15H8D4I3NO4
  • Average mass654.998 Da
  • Monoisotopic mass654.815125 Da
  • ChemSpider ID58793454

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Tyrosine-β,β,2,6-d4, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo- [ACD/Index Name]
O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-(β,β,2,6-2H4)tyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodophényl)-3,5-diiodo-L-(β,β,2,6-2H4)tyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodphenyl)-3,5-diiod-L-(β,β,2,6-2H4)tyrosin [German] [ACD/IUPAC Name]
(2S)-2-amino-3,3-dideuterio-3-[2,6-dideuterio-4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
3,3,5-Triiodo-L-thyronine
3,5,3′-triiodo-l-thyronine
6893-02-3 [RN]
liothyronine labeled d4 (tfa salt)
MFCD00002593 [MDL number]
More...

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

    Density: 2.4±0.1 g/cm3
    Boiling Point: 563.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 294.6±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: 5.08
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 2.53
    ACD/KOC (pH 5.5): 13.21
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 2.09
    ACD/KOC (pH 7.4): 10.87
    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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