ChemSpider 2D Image | Cilofungin | C49H71N7O17

Cilofungin

  • Molecular FormulaC49H71N7O17
  • Average mass1030.125 Da
  • Monoisotopic mass1029.490601 Da
  • ChemSpider ID5293334
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

6364
8ZJC54A39X
Benzamide, N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,2 2,25-hexaoxo-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-9-yl]-4-(octyloxy)- [ACD/Index Name]
Cilofungin [Wiki]
cilofunginum [Latin] [INN]
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydr o-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-(octyloxy)benzamid [German] [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydr o-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-(octyloxy)benzamide [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,12,15-tétrahydroxy-6,20-bis[(1R)-1-hydroxyéthyl]-16-méthyl-5,8,14,19,22,25-hexaoxotétracosahydr o-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohénicosin-9-yl}-4-(octyloxy)benzamide [French] [ACD/IUPAC Name]
5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[4-(octyloxy)benzoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proli
7164873
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-646991 [DBID]
LY-121019 [DBID]
  • Miscellaneous
    • Chemical Class:

      A cyclic hexapeptide echinocandin antibiotic isolated from <ital>Aspergillus</ital> spp. By inhibiting the conversion of lanosterol to ergosterol, it invades a fungus' ability to synthesize cell walls . A modified form of echinocandin B, it is an antimycotic agent against <ital>Candida albicans</ital>. ChEBI CHEBI:315019

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1397.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 222.3±3.0 kJ/mol
Flash Point: 798.7±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 258.7±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.22
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 102.6±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 705.4±5.0 cm3

Click to predict properties on the Chemicalize site






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