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

2-Methyl-2-propanyl N-{(2-hydroxy-3-methylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)(propyl)amino]acetyl}phenylalaninate

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID16559030

More details:

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

2-Methyl-2-propanyl N-{(2-hydroxy-3-methylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)(propyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(2-hydroxy-3-methylphenyl)[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)(propyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(2-Hydroxy-3-méthylphényl)-2-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosyl)(propyl)amino]acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]propylamino]-2-(2-hydroxy-3-methylphenyl)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: 824.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.5±37.1 °C
Index of Refraction: 1.560
Molar Refractivity: 192.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 49459.93
ACD/KOC (pH 5.5): 78764.04
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 24857.00
ACD/KOC (pH 7.4): 39584.32
Polar Surface Area: 161 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 593.9±7.0 cm3

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