7-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-7H-Pyrrolo(2,3-D)Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C11H14N4O3
IUPAC Name (2r,3s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 250.254 g·mol−1
Heat of Formation -344.7 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 280.4 Å 3
Surface Area 252.0 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylol-tetrahydrofuran-3-ol
  • 7-deaza-2'-deoxyadenosine
InChIKey NIJSNUNKSPLDTO-DJLDLDEBSA-N
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