1-(5-S-Isobutyl-5-Thio-β-D-Ribofuranosyl)-1H-Imidazo[4,5-C]Pyridin-4-Amine

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Properties Simple | Detailed

Formula C15H22N4O3S
IUPAC Name (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 338.425 g·mol−1
Heat of Formation -391.9 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 395.45 Å 3
Surface Area 331.85 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
  • 1h-imidazo(4,5-c)pyridin-4-amine, 1-(5-s-(2-methylpropyl)-5-thio-beta-d-ribofuranosyl)-
  • 3-deaza-siba
  • 5'-deoxy-5'-(isobutylthio)-3-deazaadenosine
  • s-isobutyryl-3-deaza-adenosine
InChIKey XDBKDRRIZBSEDB-BPGGGUHBSA-N
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