ChemSpider 2D Image | 1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-D-glucopyranuronic acid | C21H20I3NO10

1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-D-glucopyranuronic acid

  • Molecular FormulaC21H20I3NO10
  • Average mass827.098 Da
  • Monoisotopic mass826.822083 Da
  • ChemSpider ID58793392

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[O-(4-Hydroxy-3-iodphenyl)-3,5-diiod-L-tyrosyl]-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[O-(4-hydroxy-3-iodophényl)-3,5-diiodo-L-tyrosyl]-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 1-O-[O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]- [ACD/Index Name]
(2S,3S,4S,5R)-6-(((S)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Liothyronine-acyl-D-glucuronide
MFCD30179569

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

    Density: 2.4±0.1 g/cm3
    Boiling Point: 766.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.0±3.0 kJ/mol
    Flash Point: 417.2±32.9 °C
    Index of Refraction: 1.805
    Molar Refractivity: 146.5±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.06
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 189 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 108.3±5.0 dyne/cm
    Molar Volume: 341.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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