1-(β-D-Ribofuranosyl)-1H-Pyrrolo[2,3-B]Pyridin-4-Amine

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Properties Simple | Detailed

Formula C12H15N3O4
IUPAC Name (2r,3r,4s,5r)-2-(4-aminopyrrolo[2,3-b]pyridin-1-ium-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 265.265 g·mol−1
Heat of Formation -540.7 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 295.88 Å 3
Surface Area 264.06 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(4-amino-1-pyrrolo[2,3-b]pyridinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 1-deazatubercidin
  • 1h-pyrrolo(2,3-b)pyridin-4-amine, 1-beta-d-ribofuranosyl-
  • 4-amino-1-beta-d-ribofuranosyl-1h-pyrrolo(2,3-b)pyridine
CAS Number(s)
  • 83683-90-3
InChIKey ICSYNCVSXUEZDG-DNRKLUKYSA-N
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