ChemSpider 2D Image | aerothionin | C24H26Br4N4O8

aerothionin

  • Molecular FormulaC24H26Br4N4O8
  • Average mass818.101 Da
  • Monoisotopic mass813.848389 Da
  • ChemSpider ID9095156

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(5S,10R,5'S,10'R)-N,N'-1,4-Butandiylbis(7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid) [German] [ACD/IUPAC Name]
(5S,10R,5'S,10'R)-N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide) [ACD/IUPAC Name]
(5S,10R,5'S,10'R)-N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide) [French] [ACD/IUPAC Name]
(5S,10R,5'S,10'R)-N,N'-butane-1,4-diylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R,5'S,10'R)- [ACD/Index Name]
28714-26-3 [RN]
aerothionin
(+)-aerothionin
(5S,5'S,10R,10'R)-N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy-, (5S,5'S,10R,10'R)-

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

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.709
    Molar Refractivity: 155.1±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 463.01
    ACD/KOC (pH 5.5): 2816.01
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 462.84
    ACD/KOC (pH 7.4): 2814.97
    Polar Surface Area: 160 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 65.2±7.0 dyne/cm
    Molar Volume: 397.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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