Dibekacin

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Properties Simple | Detailed

Formula C18H37N5O8
IUPAC Name (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
Molecular Mass 451.515 g·mol−1
Heat of Formation -1572.7 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 523.15 Å 3
Surface Area 375.71 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,4r,6s)-4,6-diamino-3-(3-amino-3-deoxy-alpha-d-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside
  • (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside
  • (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
  • (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
  • (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
  • (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-methylol-tetrahydropyran-3,5-diol
  • (2s,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2r,3r,6s)-3-amino-6-(aminomethyl)-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
  • o-3-amino-3-deoxy-alpha-d-glucopyranosyl-(1-4)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl-(1-6))-2-deoxy-l-streptamine
InChIKey JJCQSGDBDPYCEO-XVZSLQNASA-N
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