ChemSpider 2D Image | Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-alpha-methyl-D-tyrosinate | C18H17I4NO4

Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-D-tyrosinate

  • Molecular FormulaC18H17I4NO4
  • Average mass818.950 Da
  • Monoisotopic mass818.733582 Da
  • ChemSpider ID34986209

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-, ethyl ester [ACD/Index Name]
Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-D-tyrosinate [ACD/IUPAC Name]
Ethyl-O-(4-hydroxy-3,5-diiodphenyl)-3,5-diiod-α-methyl-D-tyrosinat [German] [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodophényl)-3,5-diiodo-α-méthyl-D-tyrosinate d'éthyle [French] [ACD/IUPAC Name]
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoic acid ethyl ester
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-2-methyl-propionic acid ethyl ester
17365-01-4 [RN]
ethyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate
ethyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-2-methyl-propanoate
Etiroxate [INN]
More...

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


Advertisement