ChemSpider 2D Image | N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-{[2-Amino(~2~H_4_)ethyl]amino}-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxy ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide | C52H84D4N10O15

N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-{[2-Amino(2H4)ethyl]amino}-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxy ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide

  • Molecular FormulaC52H84D4N10O15
  • Average mass1097.338 Da
  • Monoisotopic mass1096.668213 Da
  • ChemSpider ID48059408

  • defined stereocentres - 14 of 16 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-{[2-Amino(2H4)ethyl]amino}-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxy ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamid [German] [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-{[2-Amino(2H4)ethyl]amino}-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxy ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-{[2-Amino(2H4)éthyl]amino}-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxy éthyl]-5,8,14,19,22,25-hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohénicosin-9-yl}-10,12-diméthyltétradécanamide [French] [ACD/IUPAC Name]
Tetradecanamide, N-[(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl-1,1,2,2-d4)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2 ,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-9-yl]-10,12-dimethyl- [ACD/Index Name]
1131958-73-0 [RN]
Caspofungin Acetate-d4

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1408.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 224.4±3.0 kJ/mol
    Flash Point: 805.4±34.3 °C
    Index of Refraction: 1.623
    Molar Refractivity: 283.3±0.4 cm3
    #H bond acceptors: 25
    #H bond donors: 18
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 3
    ACD/LogP: -5.05
    ACD/LogD (pH 5.5): -8.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -8.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 412 Å2
    Polarizability: 112.3±0.5 10-24cm3
    Surface Tension: 76.8±5.0 dyne/cm
    Molar Volume: 803.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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