ChemSpider 2D Image | 2-Methyl-N-{8-[(6-phenylhexanoyl)amino]octanoyl}alanyl-L-aspartic acid | C28H43N3O7

2-Methyl-N-{8-[(6-phenylhexanoyl)amino]octanoyl}alanyl-L-aspartic acid

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID9672268

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-N-{8-[(6-phenylhexanoyl)amino]octanoyl}alanyl-L-asparaginsäure [German] [ACD/IUPAC Name]
2-Methyl-N-{8-[(6-phenylhexanoyl)amino]octanoyl}alanyl-L-aspartic acid [ACD/IUPAC Name]
Acide 2-méthyl-N-{8-[(6-phénylhexanoyl)amino]octanoyl}alanyl-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, 2-methyl-N-[1-oxo-8-[(1-oxo-6-phenylhexyl)amino]octyl]alanyl- [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: 826.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.82
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

Click to predict properties on the Chemicalize site


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