ChemSpider 2D Image | O-Ethyl-N-(2-methylbenzoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-3-(3-pyridinyl)-L-alaninamide | C35H39N5O4

O-Ethyl-N-(2-methylbenzoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-3-(3-pyridinyl)-L-alaninamide

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID76824704

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, O-ethyl-N-(2-methylbenzoyl)-D-tyrosyl-N-[[4-(aminomethyl)phenyl]methyl]-3-(3-pyridinyl)- [ACD/Index Name]
O-Ethyl-N-(2-methylbenzoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-3-(3-pyridinyl)-L-alaninamid [German] [ACD/IUPAC Name]
O-Ethyl-N-(2-methylbenzoyl)-D-tyrosyl-N-[4-(aminomethyl)benzyl]-3-(3-pyridinyl)-L-alaninamide [ACD/IUPAC Name]
O-Éthyl-N-(2-méthylbenzoyl)-D-tyrosyl-N-[4-(aminométhyl)benzyl]-3-(3-pyridinyl)-L-alaninamide [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: 921.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 511.2±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 36.06
Polar Surface Area: 135 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 493.5±3.0 cm3

Click to predict properties on the Chemicalize site


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