6-(Hydroxymethyl)-9-(β-D-Ribofuranosyl)-6,9-Dihydro-3H-Purine

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Formula C11H16N4O5
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[(6r)-6-(hydroxymethyl)-3,6-dihydropurin-9-ium-4-ylium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 284.269 g·mol−1
Heat of Formation -651.9 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 313.23 Å 3
Surface Area 273.26 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[(6r)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[(6r)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-[(6r)-6-methylol-3,6-dihydropurin-9-yl]tetrahydrofuran-3,4-diol
InChIKey IHCROVKYMVBOKC-DANLAGSESA-N
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