ChemSpider 2D Image | 5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-alpha-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide | C54H85N13O15S

5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-α-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide

  • Molecular FormulaC54H85N13O15S
  • Average mass1188.396 Da
  • Monoisotopic mass1187.600830 Da
  • ChemSpider ID60498529

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-α-asparagyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-α-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-prolyl-L-séryl-L-lysyl-L-α-aspartyl-L-alanyl-L-phénylalanyl-L-isoleucylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
L-methioninamide, 5-oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-α-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl- [ACD/Index 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: 1618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 265.7±3.0 kJ/mol
Flash Point: 932.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 302.0±0.3 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 463 Å2
Polarizability: 119.7±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site


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