ChemSpider 2D Image | [(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-6-[4-[[(2R,5S,8R,11S,17S)-5-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxy-methyl]-8-[(R)-[(4S)-2-amino-3-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-methylbutanoate | C58H84N12O26

[(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-6-[4-[[(2R,5S,8R,11S,17S)-5-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxy-methyl]-8-[(R)-[(4S)-2-amino-3-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-methylbutanoate

  • Molecular FormulaC58H84N12O26
  • Average mass1365.352 Da
  • Monoisotopic mass1364.562012 Da
  • ChemSpider ID23114590
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(2R,3S,4S,5R,6R)-2-{[(2R,3S,4R,5S,6R)-6-[4-({(2R,5S,8R,11S,17S)-5-[(S)-[(4S)-2-Amino-4,5-dihydro-1H-imidazol-4-yl](hydroxy)methyl]-8-[(R)-{(5S)-2-amino-1-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrahydroxytetrahyd ro-2H-pyran-2-yl]-4,5-dihydro-1H-imidazol-5-yl}(hydroxy)methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl}methyl)phenoxy]-4,5-dihydrox y-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl] [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (2R,3S,4S,5R,6R)-2-{[(2R,3S,4R,5S,6R)-6-[4-({(2R,5S,8R,11S,17S)-5-[(S)-[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl](hydroxy)méthyl]-8-[(R)-{(5S)-2-amino-1-[(2S,3S,4R,5S,6S)-3,4,5,6 -tétrahydroxytétrahydro-2H-pyran-2-yl]-4,5-dihydro-1H-imidazol-5-yl}(hydroxy)méthyl]-11-(hydroxyméthyl)-3,6,9,12,15,18-hexaoxo-17-[(1S)-1-phényléthyl]-1,4,7,10,13,16-hexaazacyclooctadécan-2-yl}méthyl) phénoxy]-4,5-dihydroxy-2-(hydroxyméthyl)tétr [French] [ACD/IUPAC Name]
Mannopeptimycin Glycopeptide

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.749
Molar Refractivity: 309.6±0.5 cm3
#H bond acceptors: 38
#H bond donors: 24
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.63
ACD/LogD (pH 5.5): -9.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 602 Å2
Polarizability: 122.7±0.5 10-24cm3
Surface Tension: 81.9±7.0 dyne/cm
Molar Volume: 760.5±7.0 cm3

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