(6S)-6-Hydroxy-9-(β-D-Ribofuranosyl)-6,7-Dihydro-3H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H15N4O5+
IUPAC Name (2r,3r,4s,5r)-2-[(6s)-6-hydroxy-6,7-dihydro-3h-purin-9-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Mass 271.250 g·mol−1
Heat of Formation 124.9 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 271.27 Å 3
Surface Area 273.3 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry Cs
Synonyms
  • (2r,3r,4s,5r)-2-[(6s)-6-hydroxy-6,7-dihydro-3h-purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[(6s)-6-hydroxy-6,7-dihydro-3h-purin-9-ium-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 6-hydroxy-1,6-dihydro purine nucleoside
InChIKey WGRXVKRHIMUTPD-YOHZANMFSA-O
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