ChemSpider 2D Image | 2-Methyl-2-propanyl N~6~-{[(2-methyl-2-propanyl)oxy]carbonyl}-N~2~-[(4-{[(1R)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-lysinate | C28H41N5O6

2-Methyl-2-propanyl N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-N2-[(4-{[(1R)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-lysinate

  • Molecular FormulaC28H41N5O6
  • Average mass543.655 Da
  • Monoisotopic mass543.305664 Da
  • ChemSpider ID17325027

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methyl-2-propanyl N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-N2-[(4-{[(1R)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-lysinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-N2-[(4-{[(1R)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[[4-[[[(1R)-1-phenylethyl]amino]carbonyl]-1H-imidazol-5-yl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N6-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N2-[(4-{[(1R)-1-phényléthyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-lysinate de 2-méthyl-2-propanyle [French] [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: 801.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.6±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.02
ACD/KOC (pH 5.5): 1619.65
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.37
ACD/KOC (pH 7.4): 1576.88
Polar Surface Area: 152 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 467.0±3.0 cm3

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