ChemSpider 2D Image | Methyl N-{6-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-methionyl)amino]hexanoyl}-L-phenylalaninate | C26H41N3O6S

Methyl N-{6-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-methionyl)amino]hexanoyl}-L-phenylalaninate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID9905784

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[6-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]-, methyl ester [ACD/Index Name]
Methyl N-{6-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-methionyl)amino]hexanoyl}-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-{6-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-methionyl)amino]hexanoyl}-L-phenylalaninat [German] [ACD/IUPAC Name]
N-{6-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-méthionyl)amino]hexanoyl}-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.15
ACD/KOC (pH 5.5): 1770.65
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.07
ACD/KOC (pH 7.4): 1770.10
Polar Surface Area: 148 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 461.8±3.0 cm3

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