ChemSpider 2D Image | Etiroxate | C18H17I4NO4

Etiroxate

  • Molecular FormulaC18H17I4NO4
  • Average mass818.950 Da
  • Monoisotopic mass818.733582 Da
  • ChemSpider ID59112

More details:

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

0S3LDN5P7H
17365-01-4 [RN]
259-593-1 [EINECS]
55327-22-5 [RN]
a-Methyl-DL-thyroxine Ethyl Ester
D,L-a-Methylthyroxine Ethyl Ester
Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyltyrosinate [ACD/IUPAC Name]
Ethyl-O-(4-hydroxy-3,5-diiodphenyl)-3,5-diiod-α-methyltyrosinat [German] [ACD/IUPAC Name]
Etiroxate [INN]
Etiroxate, (S)-
More...

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

3603 [DBID]
CG 635 [DBID]
RXO5591D6F [DBID]

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 563.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±3.0 kJ/mol
    Flash Point: 294.7±30.1 °C
    Index of Refraction: 1.721
    Molar Refractivity: 139.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.96
    ACD/LogD (pH 5.5): 4.76
    ACD/BCF (pH 5.5): 1096.09
    ACD/KOC (pH 5.5): 2017.66
    ACD/LogD (pH 7.4): 5.47
    ACD/BCF (pH 7.4): 5602.26
    ACD/KOC (pH 7.4): 10312.51
    Polar Surface Area: 82 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 352.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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