ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate | C34H49N3O8S

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

  • Molecular FormulaC34H49N3O8S
  • Average mass659.833 Da
  • Monoisotopic mass659.324036 Da
  • ChemSpider ID16518845

More details:

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

2-Methyl-2-propanyl N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[(2-Hydroxyéthyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}méthionyl)amino]-2-(2-hydroxy-3-méthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl](2-hydroxyethyl)amino]-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: 799.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.5±35.7 °C
Index of Refraction: 1.558
Molar Refractivity: 179.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5540.11
ACD/KOC (pH 5.5): 16439.75
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2609.25
ACD/KOC (pH 7.4): 7742.71
Polar Surface Area: 187 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 556.8±7.0 cm3

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