ChemSpider 2D Image | Ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycylphenylalanylphenylalanyltyrosinate | C36H44N4O8

Ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycylphenylalanylphenylalanyltyrosinate

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID2521056

More details:






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

Ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycylphenylalanylphenylalanyltyrosinate [ACD/IUPAC Name]
EthylN-{[(2-methyl-2-propanyl)oxy]carbonyl}glycylphenylalanylphenylalanyltyrosinat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycylphénylalanylphénylalanyltyrosinate d'éthyle [French] [ACD/IUPAC Name]
Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]glycylphenylalanylphenylalanyl-, ethyl ester [ACD/Index Name]
ethyl N-(tert-butoxycarbonyl)glycylphenylalanylphenylalanyltyrosinate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 948.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 527.4±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1119.91
ACD/KOC (pH 5.5): 5295.67
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1114.85
ACD/KOC (pH 7.4): 5271.72
Polar Surface Area: 172 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 541.0±3.0 cm3

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