9-(β-D-Ribofuranosyl)-7H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H13N4O4+
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(7h-purin-9-ium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 253.235 g·mol−1
Heat of Formation 336.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 265.6 Å 3
Surface Area 258.23 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(7h-purin-9-ium-9-yl)oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(7h-purin-9-ium-9-yl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-(7h-purin-9-ium-9-yl)tetrahydrofuran-3,4-diol
InChIKey MRWXACSTFXYYMV-FDDDBJFASA-O
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