ChemSpider 2D Image | (5S,8S,11S)-5,11-Bis(3-carbamimidamidopropyl)-3,6,9,12,15-pentahydroxy-8-isobutyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadeca-3,6,9,12,15-pentaen-18-imidic acid | C40H56N12O9

(5S,8S,11S)-5,11-Bis(3-carbamimidamidopropyl)-3,6,9,12,15-pentahydroxy-8-isobutyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadeca-3,6,9,12,15-pentaen-18-imidic acid

  • Molecular FormulaC40H56N12O9
  • Average mass848.948 Da
  • Monoisotopic mass848.429321 Da
  • ChemSpider ID57266646

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,8S,11S)-5,11-Bis(3-carbamimidamidopropyl)-3,6,9,12,15-pentahydroxy-8-isobutyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadeca-3,6,9,12,15-pentaen-18-imidic acid [ACD/IUPAC Name]
(5S,8S,11S)-5,11-Bis(3-carbamimidamidopropyl)-3,6,9,12,15-pentahydroxy-8-isobutyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadeca-3,6,9,12,15-pentaen-18-imidsäure [German] [ACD/IUPAC Name]
2-Oxa-4,7,10,13,16-pentaazaoctadeca-3,6,9,12,15-pentaen-18-imidic acid, 5,11-bis[3-[(aminoiminomethyl)amino]propyl]-3,6,9,12,15-pentahydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-8-(2-methylpropyl)- 1-phenyl-, (5S,8S,11S)- [ACD/Index Name]
Acide (5S,8S,11S)-5,11-bis(3-carbamimidamidopropyl)-3,6,9,12,15-pentahydroxy-8-isobutyl-N-(4-méthyl-2-oxo-2H-chromén-7-yl)-1-phényl-2-oxa-4,7,10,13,16-pentaazaoctadéca-3,6,9,12,15-pentaén-18-imidique [French] [ACD/IUPAC Name]
167698-69-3 [RN]
benzyl ((6S,9S,12S)-1-amino-12-(3-guanidinopropyl)-1-imino-9-isobutyl-19-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-7,10,13,16,19-pentaoxo-2,8,11,14,17-pentaazanonadecan-6-yl)carbamate
Z-ARG-LEU-ARG-GLY-GLY-AMC
Z-Arg-Leu-Arg-Gly-Gly-AMC acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1056.1±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 162.0±3.0 kJ/mol
    Flash Point: 592.5±37.1 °C
    Index of Refraction: 1.646
    Molar Refractivity: 219.5±0.5 cm3
    #H bond acceptors: 21
    #H bond donors: 14
    #Freely Rotating Bonds: 26
    #Rule of 5 Violations: 3
    ACD/LogP: 4.91
    ACD/LogD (pH 5.5): -0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 355 Å2
    Polarizability: 87.0±0.5 10-24cm3
    Surface Tension: 59.1±7.0 dyne/cm
    Molar Volume: 604.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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