ChemSpider 2D Image | 1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-beta,2,11,12,15-pentahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]- | C56H71N9O23S

1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-β,2,11,12,15-pentahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]-

  • Molecular FormulaC56H71N9O23S
  • Average mass1270.274 Da
  • Monoisotopic mass1269.438354 Da
  • ChemSpider ID2339421

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-[1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-β,2,11,12,15-pentahydroxy-6-(1-hydroxyethyl )-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]- [ACD/Index Name]
1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-β,2,11,12,15-pentahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]-
5-(2-{20-(3-Amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dip yrrolo[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-(2-{20-(3-Amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dip yrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl)-2-hydroxyphenylhydrogensulfat [German] [ACD/IUPAC Name]
5-(2-{20-(3-Amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)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
Hydrogénosulfate de 5-(2-{20-(3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tétrahydroxy-6-(1-hydroxyéthyl)-16-méthyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phényl]-1,2-oxazol-3-yl}benzoyl)amino]t étracosahydro-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]
(5-{2-[3-(2-carbamoyl-1-hydroxyethyl)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl}-2-hydroxyphenyl)oxidanesulfonic acid
235114-32-6 [RN]
micafungin [BAN] [INN] [JAN] [USAN]

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

Click to predict properties on the Chemicalize site






Advertisement