ChemSpider 2D Image | Rezafungin | C63H85N8O17

Rezafungin

  • Molecular FormulaC63H85N8O17
  • Average mass1226.392 Da
  • Monoisotopic mass1225.602661 Da
  • ChemSpider ID58826030

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1396640-59-7 [RN]
2-{[(2R,6S,9S,11R,12S,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-({[4''-(pentyl oxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}amino)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl]oxy}-N,N,N-trimethylethanaminium [German] [ACD/IUPAC Name]
2-{[(2R,6S,9S,11R,12S,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-({[4''-(pentyl oxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}amino)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl]oxy}-N,N,N-trimethylethanaminium [ACD/IUPAC Name]
2-{[(2R,6S,9S,11R,12S,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyéthyl]-16-méthyl-5,8,14,19,22,25-hexaoxo-9-({[4''-(pentyl oxy)-1,1':4',1''-terphényl-4-yl]carbonyl}amino)tétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohénicosin-12-yl]oxy}-N,N,N-triméthyléthanaminium [French] [ACD/IUPAC Name]
CD101
Ethanaminium, 2-[[(2R,6S,9S,11R,12S,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22 ,25-hexaoxo-9-[[[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl]amino]-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-12-yl]oxy]-N,N,N-trimethyl- [ACD/Index Name]
Rezafungin [USAN]
UNII:G013B5478J

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 13
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -5.80
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 366 Å2
Polarizability:
Surface Tension:
Molar Volume:

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