(S)-O-3-Amino-3-Deoxy-A-D-Glucopyranosyl-(1®6)-O-(6-Amino-6-Deoxy-A-D-Glucopyranosyl-(1®4))-N1-(4-Amino-2-Hydroxybutyl)-2-Deoxy-D-Streptamine

Molecule SVG Image

Properties Simple | Detailed

Formula C22H45N5O12
IUPAC Name 4-[[(1r,2s,4r,5s)-5-amino-4-[(1s)-1-(1-cyano-2-oxo-vinyloxy)-2-oxo-ethoxy]-2-[(1r)-1-(1-formyl-2-oxo-ethoxy)-2-oxo-ethoxy]-3-oxo-cyclohexyl]amino]-3-oxo-butanenitrile; formonitrile; methanone
Molecular Mass 571.619 g·mol−1
Heat of Formation -2338.3 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 661.5 Å 3
Surface Area 517.39 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(1r,2s,3s,4r,6s)-6-amino-3-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[[(2s)-4-amino-2-hydroxy-butyl]amino]-2-hydroxy-cyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2s,3s,4r,6s)-6-amino-3-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[[(2s)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2s,3s,4r,6s)-6-amino-3-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[[(2s)-4-amino-2-hydroxy-butyl]amino]-2-hydroxy-cyclohexoxy]-6-(aminomethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2s,3s,4r,6s)-6-amino-3-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[[(2s)-4-amino-2-hydroxy-butyl]amino]-2-hydroxy-cyclohexoxy]-6-(aminomethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2s,3s,4r,6s)-6-amino-3-[[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-[[(2s)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexoxy]-6-(aminomethyl)tetrahydropyran-3,4,5-triol
  • butikacin (usan)
  • d03190
  • uk-18892
InChIKey OCFOTEIMZBKQFS-DGMGPCKZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N