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]
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]
R10H71BSWG
More...

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

8069 [Beilstein] [DBID]
9610508 [DBID]
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
      A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-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, version: 14.00

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

Click to predict properties on the Chemicalize site


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