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

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Properties Simple | Detailed

Formula C12H16N4O3S
IUPAC Name (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 296.345 g·mol−1
Heat of Formation -314.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 329.43 Å 3
Surface Area 284.54 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
  • 5'-methylthio-5'-deoxy-9-deazaadenosine
  • mtc-9-ado
CAS Number(s)
  • 106175-18-2
InChIKey RMTSYBYCOARJOP-UGKPPGOTSA-N
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