ChemSpider 2D Image | N-[(1R)-1-Amino-2-(4-hydroxyphenyl)ethoxy]-D-phenylalanyl-L-phenylalanyl-L-phenylalaninamide | C35H39N5O5

N-[(1R)-1-Amino-2-(4-hydroxyphenyl)ethoxy]-D-phenylalanyl-L-phenylalanyl-L-phenylalaninamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID23260999

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1R)-1-amino-2-(4-hydroxyphenyl)ethoxy]-D-phenylalanyl-L-phenylalanyl- [ACD/Index Name]
N-[(1R)-1-Amino-2-(4-hydroxyphenyl)ethoxy]-D-phenylalanyl-L-phenylalanyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(1R)-1-Amino-2-(4-hydroxyphenyl)ethoxy]-D-phenylalanyl-L-phenylalanyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(1R)-1-Amino-2-(4-hydroxyphényl)éthoxy]-D-phénylalanyl-L-phénylalanyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(R)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamino]-N-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-3-phenyl-propionamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 33.99
Polar Surface Area: 169 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

Click to predict properties on the Chemicalize site


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