ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-D-alanylglycyl-N-methyl-L-phenylalaninate | C36H44N4O8

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-D-alanylglycyl-N-methyl-L-phenylalaninate

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID9051341
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-D-alanylglycyl-N-methyl-L-phenylalaninate [ACD/IUPAC Name]
Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-D-alanylglycyl-N-methyl-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl-D-alanylglycyl-N-methyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tyrosyl-D-alanylglycyl-N-méthyl-L-phénylalaninate de benzyle [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: 911.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 505.0±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 995.23
ACD/KOC (pH 5.5): 4869.75
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 991.02
ACD/KOC (pH 7.4): 4849.18
Polar Surface Area: 163 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 539.4±3.0 cm3

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