(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-Amino-2-[(3-Amino-3-Deoxy-α-D-Glucopyranosyl)Oxy]-4-[(2,6-Diamino-2,3,4,6-Tetradeoxy-α-D-Erythro-Hexopyranosyl)Oxy]-3-Fluorocyclohexyl}-2-Hydroxybutanamide

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Properties Simple | Detailed

Formula C22H43FN6O9
IUPAC Name (2r,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-4-amino-2-fluoro-3-[[(2r,3r,6s)-3-λ1-azanyl-6-(λ1-azanylmethyl)-2,3,4,6-tetrahydropyran-2-yl]oxy]-6-[[(2s)-4-λ1-azanyl-2-oxido-butanoyl]amino]cyclohexoxy]-4-λ1-azanyl-6-(oxidomethyl)tetrahydropyran-3,5-diolate
Molecular Mass 554.610 g·mol−1
Heat of Formation -1950.2 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 648.15 Å 3
Surface Area 498.5 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluoro-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxybutanamide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-fluoro-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-fluoro-cyclohexyl]-2-hydroxy-butyramide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[[(2r,3r,6s)-3-amino-6-(aminomethyl)-2-tetrahydropyranyl]oxy]-2-[[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-fluorocyclohexyl]-2-hydroxybutanamide
  • (s)-o-3-amino-3-deoxy-alpha-d-glucopyranosyl-(1-6)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl-(1-4))-n1-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-5-fluoro-d-streptamine
  • 5-deoxy-5-epi-5-fluoro-arbekacin
  • 5-deoxy-5-fluoroarbekacin
  • d-streptamine, o-3-amino-3-deoxy-alpha-d-glucopyranosyl-(1-6)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl-(1-4))-n1-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-5-fluoro-, (s)-
CAS Number(s)
  • 119783-91-4
InChIKey ZJNVEFMFKDNZMU-VGBYYLGDSA-N
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