ChemSpider 2D Image | O-Ethyl-N-(2-methoxyisonicotinoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-L-phenylalaninamide | C35H39N5O5

O-Ethyl-N-(2-methoxyisonicotinoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-L-phenylalaninamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID76768903

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalaninamide, O-ethyl-N-[(2-methoxy-4-pyridinyl)carbonyl]-D-tyrosyl-N-[[4-(aminomethyl)phenyl]methyl]- [ACD/Index Name]
O-Ethyl-N-(2-methoxyisonicotinoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
O-Ethyl-N-(2-methoxyisonicotinoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-L-phenylalaninamide [ACD/IUPAC Name]
O-Éthyl-N-(2-méthoxyisonicotinoyl)-D-tyrosyl-N-[4-(aminométhyl)benzyl]-L-phénylalaninamide [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: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 508.3±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 7.39
ACD/KOC (pH 7.4): 51.09
Polar Surface Area: 145 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 501.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement