ChemSpider 2D Image | micafungin | C56H71N9O23S

micafungin

  • Molecular FormulaC56H71N9O23S
  • Average mass1270.274 Da
  • Monoisotopic mass1269.438354 Da
  • ChemSpider ID419105
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

1H-Dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[(1S,2S)-1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-β,2,11,12,15-pentahydroxy-6-[(1R)-1 -hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]-, (βR,2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)- [ACD/Index Name]
235114-32-6 [RN]
5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyl oxy)phenyl]-1,2-oxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate [ACD/IUPAC Name]
5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyl oxy)phenyl]-1,2-oxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenylhydrogensulfat [German] [ACD/IUPAC Name]
8069
Hydrogénosulfate de 5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tétrahydroxy-6-[(1R)-1-hydroxyéthyl]-16-méthyl-5,8,14,19,22,25-hexaoxo -9-[(4-{5-[4-(pentyloxy)phényl]-1,2-oxazol-3-yl}benzoyl)amino]tétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohénicosin-23-yl}-1,2-dihydroxyéthyl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
micafungin [BAN] [INN] [JAN] [USAN]
micafungina [Spanish] [INN]
micafungine [French] [INN]
micafunginum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FK463 [DBID] [Trade name]
FK-463 [DBID]
  • Miscellaneous
    • Chemical Class:

      A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-<stereo>beta</stereo>-<stereo>D</stereo>-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy. ChEBI CHEBI:600520

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 305.0±0.4 cm3
#H bond acceptors: 32
#H bond donors: 17
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -7.49
ACD/LogD (pH 5.5): -10.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 519 Å2
Polarizability: 120.9±0.5 10-24cm3
Surface Tension: 104.7±5.0 dyne/cm
Molar Volume: 783.4±5.0 cm3

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