(1R,2R,3S,4R,6S)-4,6-Diamino-2-[(5-Amino-5-Deoxy-β-D-Ribofuranosyl)Oxy]-3-Hydroxycyclohexyl 2-Amino-2-Deoxy-Alpha-D-Glucopyranoside

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Properties Simple | Detailed

Formula C17H34N4O10
IUPAC Name (2r,3s,4r,5r,6s)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol
Molecular Mass 454.473 g·mol−1
Heat of Formation -1922.2 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 514.19 Å 3
Surface Area 378.06 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.82 ± 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,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-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,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-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,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-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,4s,5r)-5-(aminomethyl)-3,4-dihydroxyoxolan-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,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-3-hydroxycyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol
  • n30
InChIKey FNBQIDOUCINBIA-VVPCINPTSA-N
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