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ChemSpider 2D Image | N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh
enicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide | C58H73N7O17

N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide

  • Molecular FormulaC58H73N7O17
  • Average mass1140.237 Da
  • Monoisotopic mass1139.506348 Da
  • ChemSpider ID10619238

More details:

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

[1,1':4',1''-Terphenyl]-4-carboxamide, N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1- c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-9-yl]-4''-(pentyloxy)- [ACD/Index Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamid [German] [ACD/IUPAC Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide [ACD/IUPAC Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,12,15-tétrahydroxy-6,20-bis(1-hydroxyéthyl)-16-méthyl-5,8,14,19,22,25-hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh énicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphényl-4-carboxamide [French] [ACD/IUPAC Name]
166663-25-8 [RN]
Eraxis [Trade name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anidulafungin (LY303366) is a semisynthetic echinocandin used as an antifungal drug. MedChem Express HY-13553,
      Anidulafungin (LY303366) is a semisynthetic echinocandin used as an antifungal drug. Anidulafungin acts by inhibiting (1,3)-beta-D-glucan synthesis in the fungal cell wall.;IC50 Value:;Target: Antifungal ;In vitro: LY-303366 had MICs of < or = 0.32 microg/ml for all Candida albicans (n = 99), Candida glabrata (n = 18), and Candida tropicalis (n = 10) isolates tested. LY-303366 was also active against Aspergillus species (minimum effective concentration at which 90% of the isolates are inhibited, 0.02 microg/ml) (n = 20), was less active against Candida parapsilosis (MIC at which 90% of the isolates are inhibited [MIC90], 5.12 microg/ml) (n = 10), and was inactive against C. neoformans (MIC90, >10.24 microg/ml) (n = 15) and B. dermatitidis (MIC90, 16 microg/ml) (n = 29) [1]. The Anidulafungin's MICs at which 50% of the isolates were inhibited were 0.125 microg/ml for Candida albicans and C. tropicalis, 0.25 microg/ml for C. krusei, C. kefyr, and C. glabrata, and 2.0 microg/ml for C MedChem Express HY-13553
      Antifungal MedChem Express HY-13553
      Anti-infection MedChem Express HY-13553
      Anti-infection; MedChem Express HY-13553

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1477.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 237.6±3.0 kJ/mol
Flash Point: 847.0±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 294.2±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.86
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 377 Å2
Polarizability: 116.6±0.5 10-24cm3
Surface Tension: 88.4±5.0 dyne/cm
Molar Volume: 771.4±5.0 cm3

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