ChemSpider 2D Image | N-({(3S)-2-[(2S)-2-Amino-3-(4-hydroxyphenyl)propyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)-L-phenylalanyl-L-phenylalanine | C37H40N4O5

N-({(3S)-2-[(2S)-2-Amino-3-(4-hydroxyphenyl)propyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)-L-phenylalanyl-L-phenylalanine

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID8755124

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalanine, N-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]-L-phenylalanyl- [ACD/Index Name]
N-({(3S)-2-[(2S)-2-Amino-3-(4-hydroxyphenyl)propyl]-1,2,3,4-tetrahydro-3-isochinolinyl}carbonyl)-L-phenylalanyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-({(3S)-2-[(2S)-2-Amino-3-(4-hydroxyphényl)propyl]-1,2,3,4-tétrahydro-3-isoquinoléinyl}carbonyl)-L-phénylalanyl-L-phénylalanine [French] [ACD/IUPAC Name]
N-({(3S)-2-[(2S)-2-Amino-3-(4-hydroxyphenyl)propyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)-L-phenylalanyl-L-phenylalanine [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 941.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 523.4±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 10.05
Polar Surface Area: 145 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 489.9±3.0 cm3

Click to predict properties on the Chemicalize site


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