ChemSpider 2D Image | Triiodothyronine sulfate | C15H12I3NO7S

Triiodothyronine sulfate

  • Molecular FormulaC15H12I3NO7S
  • Average mass731.037 Da
  • Monoisotopic mass730.746826 Da
  • ChemSpider ID108983

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,3',5-triiodo-L-thyronine sulfate
3,5-Diiod-O-[3-iod-4-(sulfooxy)phenyl]-L-tyrosin [German] [ACD/IUPAC Name]
3,5-Diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine [ACD/IUPAC Name]
3,5-Diiodo-O-[3-iodo-4-(sulfooxy)phényl]-L-tyrosine [French] [ACD/IUPAC Name]
31135-55-4 [RN]
L-Tyrosine, 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]- [ACD/Index Name]
Triiodothyronine sulfate
(2S)-2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
(S)-2-Amino-3-(3,5-diiodo-4-(3-iodo-4-(sulfooxy)phenoxy)phenyl)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:35432 [DBID]

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

    Density: 2.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.757
    Molar Refractivity: 123.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 83.1±3.0 dyne/cm
    Molar Volume: 300.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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