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

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Properties Simple | Detailed

Formula C11H12N4O2
IUPAC Name (1s,2r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)cyclopent-3-ene-1,2-diol
Molecular Mass 232.239 g·mol−1
Heat of Formation -52.3 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 263.23 Å 3
Surface Area 241.37 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,5r)-5-(4-amino-1-imidazo[4,5-c]pyridinyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
  • 3-cyclopentene-1,2-diol, 5-(4-amino-1h-imidazo(4,5-c)pyridin-1-yl)-, (1alpha,2alpha,5beta)-
  • 5'-dhcda
  • 5'-nordeazaneplanocina
  • 9-(2',3'-dihydroxycyclopent-4'-enyl)-3-deazaadenine
  • 9-(trans-2',trans-3'-dihydroxycyclopent-4'-enyl)-3-deazaadenine
  • 9-[trans-2'-trans-3'-dihydroxycyclopent-4'-enyl]-3-deazaadenine
  • avs-6282
  • c^3dhcea
  • ttdhda
CAS Number(s)
  • 112318-10-2
InChIKey UJJIREDPTVPNLW-MRTMQBJTSA-N
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