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

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Properties Simple | Detailed

Formula C10H12N4O3
IUPAC Name (2r,3s,5s)-2-(hydroxymethyl)-5-purin-9-ium-9-yl-tetrahydrofuran-3-ol
Molecular Mass 236.227 g·mol−1
Heat of Formation -264.7 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 261.78 Å 3
Surface Area 242.89 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s)-2-(hydroxymethyl)-5-(9-purinyl)-3-tetrahydrofuranol
  • (2r,3s,5s)-2-(hydroxymethyl)-5-purin-9-yl-oxolan-3-ol
  • (2r,3s,5s)-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol
  • (2r,3s,5s)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
  • (2r,3s,5s)-2-methylol-5-purin-9-yl-tetrahydrofuran-3-ol
  • 9h-purine, 9-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-
InChIKey WJBNIBFTNGZFBW-YIZRAAEISA-N
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