(1S,3R,4S,5R,7S,8R,10R,12R,13S,14R,15R,18R,19S,20R)-5,7-Diamino-12-(Aminomethyl)-4,13,14,20-Tetrahydroxy-2,9,11,21-Tetraoxa-16-Azatetracyclo[16.2.1.0~3,8~.0~10,15~]Henicos-19-Yl 2,6-Diamino-2,6-Dideoxy-β-L-Idopyranoside

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Formula C23H44N6O12
IUPAC Name (1s,3r,4s,5r,7s,8r,10r,12r,13s,14r,15r,18r,19s,20r)-5,7-diamino-12-(aminomethyl)-4,13,14,20-tetrahydroxy-2,9,11,21-tetraoxa-16-azatetracyclo[16.2.1.0 3,8 .0 10,15 ]henicos-19-yl 2,6-diamino-2,6-dideoxy-β-l-idopyranoside
Molecular Mass 596.628 g·mol−1
Heat of Formation -2139.1 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 676.61 Å 3
Surface Area 513.46 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside
  • cny
  • cyclic neomycin
InChIKey DXIORKRGAWCDSD-LSWIJEOBSA-N
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