ChemSpider 2D Image | microcin J25 | C101H139N23O27

microcin J25

  • Molecular FormulaC101H139N23O27
  • Average mass2107.322 Da
  • Monoisotopic mass2106.020996 Da
  • ChemSpider ID28500700

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

Glycine, N-[[(3S,14S,20S,23S,28aS)-octacosahydro-20-(1H-imidazol-5-ylmethyl)-14-methyl-23-(1-methylethyl)-1,6,9,12,15,18,21,24-octaoxopyrrolo[2,1-c][1,4,7,10,13,16,19,22]octaazacyclohexacosin-3-yl]car bonyl]-L-tyrosyl-L-phenylalanyl-L-valylglycyl-L-isoleucylglycyl-L-threonyl-L-prolyl-L-isoleucyl-L-seryl-L-phenylalanyl-L-tyrosyl- [ACD/Index Name]
microcin J25
N-{[(3S,14S,20S,23S,28aS)-20-(1H-Imidazol-4-ylmethyl)-23-isopropyl-14-methyl-1,6,9,12,15,18,21,24-octaoxooctacosahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22]octaazacyclohexacosin-3-yl]carbonyl}-L-tyrosyl -L-phenylalanyl-L-valylglycyl-L-isoleucylglycyl-L-threonyl-L-prolyl-L-isoleucyl-L-seryl-L-phenylalanyl-L-tyrosylglycin [German] [ACD/IUPAC Name]
N-{[(3S,14S,20S,23S,28aS)-20-(1H-Imidazol-4-ylmethyl)-23-isopropyl-14-methyl-1,6,9,12,15,18,21,24-octaoxooctacosahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22]octaazacyclohexacosin-3-yl]carbonyl}-L-tyrosyl -L-phenylalanyl-L-valylglycyl-L-isoleucylglycyl-L-threonyl-L-prolyl-L-isoleucyl-L-seryl-L-phenylalanyl-L-tyrosylglycine [ACD/IUPAC Name]
N-{[(3S,14S,20S,23S,28aS)-20-(1H-Imidazol-4-ylméthyl)-23-isopropyl-14-méthyl-1,6,9,12,15,18,21,24-octaoxooctacosahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22]octaazacyclohexacosin-3-yl]carbonyl}-L-tyrosyl -L-phénylalanyl-L-valylglycyl-L-isoleucylglycyl-L-thréonyl-L-prolyl-L-isoleucyl-L-séryl-L-phénylalanyl-L-tyrosylglycine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 2318.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 425.6±3.0 kJ/mol
Flash Point: 1356.0±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 540.8±0.4 cm3
#H bond acceptors: 50
#H bond donors: 25
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -5.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 740 Å2
Polarizability: 214.4±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 1495.0±5.0 cm3

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