ChemSpider 2D Image | (2R)-2-amino-3-[3,5-diiodo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]propanoic acid | C18H19I2NO4

(2R)-2-amino-3-[3,5-diiodo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]propanoic acid

  • Molecular FormulaC18H19I2NO4
  • Average mass567.157 Da
  • Monoisotopic mass566.940308 Da
  • ChemSpider ID23114373

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,5-Diiod-O-[2-(4-methoxyphenyl)ethyl]-D-tyrosin [German] [ACD/IUPAC Name]
3,5-Diiodo-O-[2-(4-méthoxyphényl)éthyl]-D-tyrosine [French] [ACD/IUPAC Name]
(R)-2-Amino-3-{3,5-diiodo-4-[2-(4-methoxy-phenyl)-ethoxy]-phenyl}-propionic acid
3,5-diiodo-O-[2-(4-methoxyphenyl)ethyl]-D-tyrosine [ACD/IUPAC Name]
D-tyrosine, 3,5-diiodo-O-[2-(4-methoxyphenyl)ethyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL280062/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 12.68
Polar Surface Area: 82 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

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