ChemSpider 2D Image | 4-(N',N''-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine | C25H38N4O8

4-(N',N''-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine

  • Molecular FormulaC25H38N4O8
  • Average mass522.591 Da
  • Monoisotopic mass522.268982 Da
  • ChemSpider ID8943657

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(N',N''-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
4-(N',N''-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
4-(N',N''-Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}carbamimidamido)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-[[(Z)-[[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]amino]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.531
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 36.08
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 439.0±7.0 cm3

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