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

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Properties Simple | Detailed

Formula C22H45N7O9
IUPAC Name n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(2s,6r)-2-cyano-5-imino-2,4-dihydropyran-6-yl]oxy]-3-hydroxy-2-(2-oxoethoxymethoxy)cyclohexyl]-2-cyano-3-oxo-prop-2-enamide; formonitrile; methanone
Molecular Mass 551.634 g·mol−1
Heat of Formation -1728.1 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 653.87 Å 3
Surface Area 508.41 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.66 ± 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-[(2s,3r,4r,5s,6r)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-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-[(2s,3r,4r,5s,6r)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-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-[(2s,3r,4r,5s,6r)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-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-[(2s,3r,4r,5s,6r)-3,4-diamino-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-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-[[(2s,3r,4r,5s,6r)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • 2''-amino-2''-deoxy-arbekacin
  • 2''-amino-2''-deoxyarbekacin
  • d-streptamine, o-2,3-diamino-2,3-dideoxy-alpha-d-glucopyranosyl-(1-6)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl-(1-4))-n(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (s)-
  • d-streptamine, o-2,3-diamino-2,3-dideoxy-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-deoxy-, (s)-
CAS Number(s)
  • 147920-22-7
InChIKey RNGSOMJZBMQKAG-HJKCZAIBSA-N
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