(1R,2S,3R,5R)-3-(4-Amino-1H-Imidazo[4,5-C]Pyridin-1-Yl)-5-(Hydroxymethyl)-1,2-Cyclopentanediol

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Properties Simple | Detailed

Formula C12H16N4O3
IUPAC Name (1r,2s,3r,5r)-3-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Mass 264.280 g·mol−1
Heat of Formation -358.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 304.27 Å 3
Surface Area 271.98 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-3-deazaaristeromycin
  • (1r,2s,3r,5r)-3-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1r,2s,3r,5r)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1r,2s,3r,5r)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylol-cyclopentane-1,2-diol
  • 1,2-cyclopentanediol, 3-(4-amino-1h-imidazo(4,5-c)pyridin-1-yl)-5-(hydroxymethyl)-, (1r-(1-alpha,2-alpha,3-beta,5-beta))-
  • 1,2-cyclopentanediol, 3-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)-, rel-(1r,2s,3r,5r)-
  • 3-deazaaristeromycin
  • c-c^3 ado
  • carbocyclic 3-deazaadenosine
  • cc3ado, ccado
  • dzari
  • nd-0224
  • ni 12-2-1
  • sri-6251
CAS Number(s)
  • 58316-88-4
InChIKey XNJHAZWZQGXOSC-IALJFVCMSA-N
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