ChemSpider 2D Image | N~6~-(5-Amino-D-isoleucyl)-L-lysine | C12H26N4O3

N6-(5-Amino-D-isoleucyl)-L-lysine

  • Molecular FormulaC12H26N4O3
  • Average mass274.360 Da
  • Monoisotopic mass274.200500 Da
  • ChemSpider ID28184668
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Lysine, N6-[(3R)-3-methyl-D-ornithyl]- [ACD/Index Name]
N(6)-[(3R)-3-methyl-D-ornithyl]-L-lysine
N6-(5-Amino-D-isoleucyl)-L-lysin [German] [ACD/IUPAC Name]
N6-(5-Amino-D-isoleucyl)-L-lysine [ACD/IUPAC Name]
N6-(5-Amino-D-isoleucyl)-L-lysine [French] [ACD/IUPAC Name]
N(6)-(5-amino-D-isoleucyl)-L-lysine
  • Miscellaneous
    • Chemical Class:

      A dipeptide formed by formal condensation of the carboxy group of (3<stereo>R</stereo>)-3-methyl-<stereo>D</stereo>-ornithine with the side-chain amino group of <stereo>L</stereo>-lysine. ChEBI CHEBI:64692
      A dipeptide formed by formal condensation of the carboxy group of (3R)-3-methyl-D-ornithine with the side-chain amino group of L-lysine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64692

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -6.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 239.3±3.0 cm3

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