ChemSpider 2D Image | Methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate | C28H48N4O5

Methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate

  • Molecular FormulaC28H48N4O5
  • Average mass520.705 Da
  • Monoisotopic mass520.362488 Da
  • ChemSpider ID396043

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Phenylalanine, N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2S,3S)-3-Amino-2-hydroxy-5-méthylhexyl]-L-valyl-L-isoleucyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
0HT

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

Density: 1.1±0.1 g/cm3
Boiling Point: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 9.91
Polar Surface Area: 143 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 480.8±3.0 cm3

Click to predict properties on the Chemicalize site


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