ChemSpider 2D Image | Thyroxine sulfate | C15H11I4NO7S

Thyroxine sulfate

  • Molecular FormulaC15H11I4NO7S
  • Average mass856.933 Da
  • Monoisotopic mass856.643433 Da
  • ChemSpider ID116397

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

77074-49-8 [RN]
Levothyroxine sulfate
L-Tyrosine, O-[3,5-diiodo-4-(sulfooxy)phenyl]-3,5-diiodo- [ACD/Index Name]
O-[3,5-Diiod-4-(sulfooxy)phenyl]-3,5-diiod-L-tyrosin [German] [ACD/IUPAC Name]
O-[3,5-Diiodo-4-(sulfooxy)phenyl]-3,5-diiodo-L-tyrosine [ACD/IUPAC Name]
O-[3,5-Diiodo-4-(sulfooxy)phényl]-3,5-diiodo-L-tyrosine [French] [ACD/IUPAC Name]
Thyroxine sulfate
(2S)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3,5-diiodophenyl]propanoic acid
(2S)-2-amino-3-{4-[3,5-diiodo-4-(sulfooxy)phenoxy]-3,5-diiodophenyl}propanoic acid
(S)-2-amino-3-(4-(3,5-diiodo-4-(sulfooxy)phenoxy)-3,5-diiodophenyl)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 2.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.787
    Molar Refractivity: 136.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.61
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 86.2±3.0 dyne/cm
    Molar Volume: 322.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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