ChemSpider 2D Image | Dextrothyroxine | C15H11I4NO4

Dextrothyroxine

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID8402

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Dextrothyroxine [Wiki]
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
2954910 [Beilstein]
3,3',5,5'-Tetraiodo-D-thyronine
3,3′,5,5″-Tetraiodo-D-thyronine
3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-D-alanine
51-49-0 [RN]
Choloxin [Trade name]
D-Thyroxine
D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4W9K63FION [DBID]
AIDS003357 [DBID]
AIDS-003357 [DBID]
BRN 2228515 [DBID]
C01829 [DBID]
CCRIS 6739 [DBID]
CHEBI:18332 [DBID]
CHEBI:30659 [DBID]
DivK1c_006967 [DBID]
HSDB 3108 [DBID]
More...

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

    Density: 2.6±0.1 g/cm3
    Boiling Point: 576.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.8±3.0 kJ/mol
    Flash Point: 302.3±30.1 °C
    Index of Refraction: 1.795
    Molar Refractivity: 125.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.93
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 8.02
    ACD/KOC (pH 5.5): 29.83
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 8.84
    Polar Surface Area: 93 Å2
    Polarizability: 49.7±0.5 10-24cm3
    Surface Tension: 79.6±3.0 dyne/cm
    Molar Volume: 294.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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