ChemSpider 2D Image | Methyl 3-(aminomethyl)-5-[(2S)-3-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninate | C25H39N3O8

Methyl 3-(aminomethyl)-5-[(2S)-3-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninate

  • Molecular FormulaC25H39N3O8
  • Average mass509.592 Da
  • Monoisotopic mass509.273712 Da
  • ChemSpider ID8752993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(Aminométhyl)-5-[(2S)-3-méthoxy-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
L-Phenylalanine, 3-(aminomethyl)-N-[(1,1-dimethylethoxy)carbonyl]-5-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methoxy-3-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl 3-(aminomethyl)-5-[(2S)-3-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninate [ACD/IUPAC Name]
Methyl-3-(aminomethyl)-5-[(2S)-3-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninat [German] [ACD/IUPAC 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: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 27.14
Polar Surface Area: 155 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 438.6±3.0 cm3

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