ChemSpider 2D Image | 3,3',5-triiodo-L-thyroninate | C15H11I3NO4

3,3',5-triiodo-L-thyroninate

  • Molecular FormulaC15H11I3NO4
  • Average mass649.966 Da
  • Monoisotopic mass649.782715 Da
  • ChemSpider ID26331877

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate [ACD/IUPAC Name]
(2S)-2-Amino-3-[4-(4-hydroxy-3-iodophénoxy)-3,5-diiodophényl]propanoate [French] [ACD/IUPAC Name]
(2S)-2-Amino-3-[4-(4-hydroxy-3-iodphenoxy)-3,5-diiodphenyl]propanoat [German] [ACD/IUPAC Name]
3,3',5-triiodo-L-thyroninate
L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-, ion(1-) [ACD/Index Name]
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propionate
3,3',5-triiodo-L-thyronine anion
3,3',5-triiodo-L-thyronine(1-)
liothyronine anion
liothyronine(1-)

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

CHEBI:60308 [DBID]
  • Miscellaneous

    • Chemical Class:

      The anion resulting from the removal of the proton from the carboxylic acid group of 3,3',5-triiodo-L-thyronine. ChEBI CHEBI:60308

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

Density:
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:
Molar Refractivity:
#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: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

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