ChemSpider 2D Image | 3-Hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methyl-2-butanyl)-1,4,7,10,13,16,19-heptaoxo-12-phenylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahe xaazacyclohenicosin-15-yl]-2-pyridinecarboxamide | C44H62N8O11

3-Hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methyl-2-butanyl)-1,4,7,10,13,16,19-heptaoxo-12-phenylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahe xaazacyclohenicosin-15-yl]-2-pyridinecarboxamide

  • Molecular FormulaC44H62N8O11
  • Average mass879.010 Da
  • Monoisotopic mass878.453796 Da
  • ChemSpider ID21344279

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[(6R,9R,12R,15R,18S,23aS)-6-(1,2-dimethylpropyl)eicosahydro-22-hydroxy-2,3,3,5,9,11-hexamethyl-18-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxo-12-phenyl-1H,15H-pyrrolo[1,2-g][1 ,4,7,10,13,16,19]oxahexaazacycloheneicosin-15-yl]-3-hydroxy- [ACD/Index Name]
3-Hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methyl-2-butanyl)-1,4,7,10,13,16,19-heptaoxo-12-phenylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahe xaazacyclohenicosin-15-yl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methyl-2-butanyl)-1,4,7,10,13,16,19-heptaoxo-12-phenylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahe xaazacyclohenicosin-15-yl]-2-pyridinecarboxamide [ACD/IUPAC Name]
3-Hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexaméthyl-6-(3-méthyl-2-butanyl)-1,4,7,10,13,16,19-heptaoxo-12-phénylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahe xaazacyclohénicosin-15-yl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
3-HYDROXY-N-[(3S,6R,9R,12R,15R,21S)-23-HYDROXY-10,12,16,18,18,19-HEXAMETHYL-15-(3-METHYLBUTAN-2-YL)-3-(2-METHYLPROPYL)-2,5,8,11,14,17,20-HEPTAOXO-9-PHENYL-7-OXA-1,4,10,13,16,19-HEXAZABICYCLO[19.3.0]TETRACOSAN-6-YL]PYRIDINE-2-CARBOXAMIDE

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1203.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 187.0±3.0 kJ/mol
    Flash Point: 681.5±34.3 °C
    Index of Refraction: 1.607
    Molar Refractivity: 230.0±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): -2.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 248 Å2
    Polarizability: 91.2±0.5 10-24cm3
    Surface Tension: 65.8±5.0 dyne/cm
    Molar Volume: 665.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement