ChemSpider 2D Image | N-Acetylthyroxine | C17H13I4NO5

N-Acetylthyroxine

  • Molecular FormulaC17H13I4NO5
  • Average mass818.907 Da
  • Monoisotopic mass818.697205 Da
  • ChemSpider ID29786826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

26041-51-0 [RN]
L-Tyrosine, N-acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
N-Acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine [ACD/IUPAC Name]
N-Acétyl-O-(4-hydroxy-3,5-diiodophényl)-3,5-diiodo-L-tyrosine [French] [ACD/IUPAC Name]
N-Acetyl-O-(4-hydroxy-3,5-diiodphenyl)-3,5-diiod-L-tyrosin [German] [ACD/IUPAC Name]
N-Acetylthyroxine
(2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
(S)-2-Acetamido-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid
604-19-3 [RN]
Acetylthyroxin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

G10YJB626N [DBID]
UNII:G10YJB626N [DBID]
UNII-G10YJB626N [DBID]

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 671.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.7±3.0 kJ/mol
    Flash Point: 360.1±31.5 °C
    Index of Refraction: 1.753
    Molar Refractivity: 134.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.59
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 9.59
    ACD/KOC (pH 5.5): 30.81
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 72.8±3.0 dyne/cm
    Molar Volume: 330.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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