ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](3-hydroxyphenyl)acetyl}phenylalaninate | C39H51N3O8

2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](3-hydroxyphenyl)acetyl}phenylalaninate

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID16560350

More details:

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

2-Methyl-2-propanyl N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](3-hydroxyphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino](3-hydroxyphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[Butyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]-2-(3-hydroxyphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[butyl[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-(3-hydroxyphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 836.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.5±37.1 °C
Index of Refraction: 1.560
Molar Refractivity: 192.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 25901.44
ACD/KOC (pH 5.5): 49276.66
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 13390.59
ACD/KOC (pH 7.4): 25475.16
Polar Surface Area: 161 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 594.8±7.0 cm3

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