9-(2-Deoxy-β-D-Ribofuranosyl)-6-Methylpurine

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Properties Simple | Detailed

Formula C11H14N4O3
IUPAC Name (2r,3s,5r)-2-(hydroxymethyl)-5-(6-methylpurin-9-ium-1-id-9-yl)tetrahydrofuran-3-ol
Molecular Mass 250.254 g·mol−1
Heat of Formation -294.8 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 287.19 Å 3
Surface Area 264.59 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-(hydroxymethyl)-5-(6-methyl-9-purinyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-2-methylol-5-(6-methylpurin-9-yl)tetrahydrofuran-3-ol
  • 6-methylpurine 2'-deoxyriboside
  • 9h-purine, 9-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-methyl-
  • mdr
InChIKey SJXRKKYXNZWKDB-DJLDLDEBSA-N
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