(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-Diamino-2,6-Dideoxy-β-L-Idopyranosyl)-2-O-{2-[(2-Phenylethyl)Amino]Ethyl}-β-D-Ribofuranosyl]Oxy}-3-Hydroxycyclohexyl 2-Amino-2-Deoxy-Alpha-D-Glucopyranoside

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Properties Simple | Detailed

Formula C33H58N6O14
IUPAC Name (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-[(2r,3r,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-diamino-2-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-2-(hydroxymethyl)-4-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol
Molecular Mass 762.845 g·mol−1
Heat of Formation -2512.4 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 891.52 Å 3
Surface Area 650.54 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
  • (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol
  • (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-methylol-3-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-2-methylol-tetrahydropyran-3,4-diol
  • (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
  • (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[[(2s,3r,4r,5r)-4-[[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-tetrahydropyranyl]oxy]-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]-2-tetrahydrofuranyl]oxy]-3-hydroxycyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol
InChIKey RYWOYAQAVIFICV-KWRLVFCDSA-N
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