(2R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-Amino-4-[(2,6-Diamino-2,6-Dideoxy-α-D-Glucopyranosyl)Oxy]-2-Hydroxy-3-(α-D-Ribofuranosyloxy)Cyclohexyl]-2-Hydroxybutanamide

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Properties Simple | Detailed

Formula C21H41N5O12
IUPAC Name (2r,3s,4r,5r,6r)-6-[(1r,2r,3s,4r,6s)-6-amino-2-[(2r,3r,4r,5r)-3,4-dioxido-5-(oxidomethyl)tetrahydrofuran-5-id-2-yl]oxy-4-[[(2r)-4-λ1-azanyl-2-oxido-butanoyl]amino]-3-oxido-cyclohexoxy]-5-λ1-azanyl-2-(λ1-azanylmethyl)tetrahydropyran-3,4-diolate
Molecular Mass 555.577 g·mol−1
Heat of Formation -2269.1 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 640.82 Å 3
Surface Area 475.69 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butyramide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-tetrahydropyranyl]oxy]-3-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide
  • ambutyrosin
  • butirosin
CAS Number(s)
  • 12772-35-9
InChIKey XEQLFNPSYWZPOW-NUOYRARPSA-N
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