ChemSpider 2D Image | N-({(4R,7S,13S,16R)-13-Benzyl-7-(3-carbamimidamidopropyl)-6,9,12,15-tetraoxo-16-[(L-seryl-L-prolyl-L-lysyl-L-methionyl-L-valyl-L-glutaminylglycyl-L-serylglycyl)amino]-1,2-dithia-5,8,11,14-tetraazacycl
oheptadecan-4-yl}carbonyl)glycyl-L-leucylglycyl-L-seryl-L-seryl-L-seryl-L-seryl-L-isoleucyl-L-arginyl-L-alpha-aspartyl-L-methionyl-L-lysyl-L-lysyl-L-valyl-L-leucyl-L-arginyl-L-arginyl-L-histidine | C143H244N50O42S4

N-({(4R,7S,13S,16R)-13-Benzyl-7-(3-carbamimidamidopropyl)-6,9,12,15-tetraoxo-16-[(L-seryl-L-prolyl-L-lysyl-L-methionyl-L-valyl-L-glutaminylglycyl-L-serylglycyl)amino]-1,2-dithia-5,8,11,14-tetraazacycl oheptadecan-4-yl}carbonyl)glycyl-L-leucylglycyl-L-seryl-L-seryl-L-seryl-L-seryl-L-isoleucyl-L-arginyl-L-α-aspartyl-L-methionyl-L-lysyl-L-lysyl-L-valyl-L-leucyl-L-arginyl-L-arginyl-L-histidine

  • Molecular FormulaC143H244N50O42S4
  • Average mass3464.037 Da
  • Monoisotopic mass3461.737793 Da
  • ChemSpider ID29738738
  • defined stereocentres - 28 of 28 defined stereocentres


More details:






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

HS-2019

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.679
    Molar Refractivity: 855.1±0.5 cm3
    #H bond acceptors: 92
    #H bond donors: 65
    #Freely Rotating Bonds: 121
    #Rule of 5 Violations: 3
    ACD/LogP: -10.85
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 1614 Å2
    Polarizability: 339.0±0.5 10-24cm3
    Surface Tension: 69.5±7.0 dyne/cm
    Molar Volume: 2265.8±7.0 cm3

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