ChemSpider 2D Image | N-(6-Aminohexanoyl)-3-methylvalyl-3-methylvalyl-N~1~-{3-hydroxy-4-oxo-4-[(1-phenylpropyl)amino]-2-butanyl}-N~4~,N~4~-dimethylaspartamide | C37H63N7O7

N-(6-Aminohexanoyl)-3-methylvalyl-3-methylvalyl-N1-{3-hydroxy-4-oxo-4-[(1-phenylpropyl)amino]-2-butanyl}-N4,N4-dimethylaspartamide

  • Molecular FormulaC37H63N7O7
  • Average mass717.939 Da
  • Monoisotopic mass717.478882 Da
  • ChemSpider ID21395502

More details:

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

Aspartamide, N-(6-amino-1-oxohexyl)-3-methylvalyl-3-methylvalyl-N1-[2-hydroxy-1-methyl-3-oxo-3-[(1-phenylpropyl)amino]propyl]-N4,N4-dimethyl- [ACD/Index Name]
N-(6-Aminohexanoyl)-3-Methyl-L-Valyl-3-Methyl-L-Valyl-N1-[(2s,3s)-3-Hydroxy-4-Oxo-4-{[(1r)-1-Phenylpropyl]amino}butan-2-Yl]-N4,N4-Dimethyl-L-Aspartamide
N-(6-Aminohexanoyl)-3-methylvalyl-3-methylvalyl-N1-{3-hydroxy-4-oxo-4-[(1-phenylpropyl)amino]-2-butanyl}-N4,N4-dimethylaspartamid [German] [ACD/IUPAC Name]
N-(6-Aminohexanoyl)-3-methylvalyl-3-methylvalyl-N1-{3-hydroxy-4-oxo-4-[(1-phenylpropyl)amino]-2-butanyl}-N4,N4-dimethylaspartamide [ACD/IUPAC Name]
N-(6-Aminohexanoyl)-3-méthylvalyl-3-méthylvalyl-N1-{3-hydroxy-4-oxo-4-[(1-phénylpropyl)amino]-2-butanyl}-N4,N4-diméthylaspartamide [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: 1009.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 564.4±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 196.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 638.9±3.0 cm3

Click to predict properties on the Chemicalize site


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