ChemSpider 2D Image | Methyl N-{5-[(alanylalanyl)amino]-4-hydroxy-6-phenylhexanoyl}valylvalinate | C29H47N5O7

Methyl N-{5-[(alanylalanyl)amino]-4-hydroxy-6-phenylhexanoyl}valylvalinate

  • Molecular FormulaC29H47N5O7
  • Average mass577.713 Da
  • Monoisotopic mass577.347534 Da
  • ChemSpider ID3822952

More details:

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

2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
Methyl N-{5-[(alanylalanyl)amino]-4-hydroxy-6-phenylhexanoyl}valylvalinate [ACD/IUPAC Name]
MethylN-{5-[(alanylalanyl)amino]-4-hydroxy-6-phenylhexanoyl}valylvalinat [German] [ACD/IUPAC Name]
N-{5-[(Alanylalanyl)amino]-4-hydroxy-6-phénylhexanoyl}valylvalinate de méthyle [French] [ACD/IUPAC Name]
Valine, N-[5-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-4-hydroxy-1-oxo-6-phenylhexyl]valyl-, methyl ester [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: 897.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.8±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.95
Polar Surface Area: 189 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 500.3±3.0 cm3

Click to predict properties on the Chemicalize site


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