(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-Amino-2-[(3-Amino-3-Deoxy-α-D-Glucopyranosyl)Oxy]-4-{[4,6-Dideoxy-6-(Methylamino)-α-D-Xylo-Hexopyranosyl]Oxy}-3-Hydroxycyclohexyl]-2-Hydroxybutanamide

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Properties Simple | Detailed

Formula C23H22N5O12
IUPAC Name (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2r,3r,4s,6s)-3,4-dihydroxy-6-(methylaminomethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Molecular Mass 560.447 g·mol−1
Heat of Formation -2318.0 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 671.93 Å 3
Surface Area 525.07 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2r,3r,4s,6s)-3,4-dihydroxy-6-(methylaminomethyl)oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2r,3r,4s,6s)-3,4-dihydroxy-6-(methylaminomethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2r,3r,4s,6s)-3,4-dihydroxy-6-(methylaminomethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide
  • (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-2-[[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(methylaminomethyl)-2-tetrahydropyranyl]oxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • 4'-deoxy-6'-n-methylamikacin
  • antibiotic bbk 311
  • bb-k311
  • d-streptamine, o-3-amino-3-deoxy-alpha-d-glucopyranosyl-(1-6)-o-(4,6-dideoxy-6-(methylamino)-alpha-d-xylo-hexopyranosyl-(1-4)-n(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (s)-
CAS Number(s)
  • 71398-14-6
InChIKey NFQSTZWJVAZQFI-CEDZBATRSA-N
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