2-Amino-7-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C11H14N4O4
IUPAC Name 2-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-4-one
Molecular Mass 266.253 g·mol−1
Heat of Formation -488.5 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 294.03 Å 3
Surface Area 263.85 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-7-deazaguanosine
  • 2-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-7-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-7-(2-deoxy-beta-d-erythro-pentofuranosyl)-1,7-dihydro-
  • 7-deaza-2'-deoxyguanosine
CAS Number(s)
  • 86392-75-8
InChIKey PFCLMNDDPTZJHQ-XLPZGREQSA-N
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