9-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-9H-Purine

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Properties Simple | Detailed

Formula C10H12N4O3
IUPAC Name (2r,3s,5r)-2-(hydroxymethyl)-5-purin-9-ium-9-yl-tetrahydrofuran-3-ol
Molecular Mass 236.227 g·mol−1
Heat of Formation -260.9 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 260.66 Å 3
Surface Area 235.68 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-(hydroxymethyl)-5-(9-purinyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-purin-9-yl-oxolan-3-ol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
  • (2r,3s,5r)-2-methylol-5-purin-9-yl-tetrahydrofuran-3-ol
  • 2'-deoxynebularine
  • 9-(beta-d-2'-deoxyribofuranosyl)purine
  • 9h-purine, 9-(2-deoxy-beta-d-erythro-pentofuranosyl)-
CAS Number(s)
  • 4546-68-3
InChIKey WJBNIBFTNGZFBW-DJLDLDEBSA-N
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