ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-O-(4-methoxybenzyl)-L-tyrosinate | C32H38N2O8

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-O-(4-methoxybenzyl)-L-tyrosinate

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID9257568
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl-O-[(4-methoxyphenyl)methyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-O-(4-methoxybenzyl)-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-O-(4-methoxybenzyl)-L-tyrosinat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-O-(4-méthoxybenzyl)-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 783.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 427.8±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5256.37
ACD/KOC (pH 5.5): 16027.01
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5234.18
ACD/KOC (pH 7.4): 15959.37
Polar Surface Area: 132 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 477.7±3.0 cm3

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