1-Methyl-6-Oxo-9-Pentofuranosyl-6,9-Dihydro-1H-Purin-3-Ium

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Formula C11H14N4O5
IUPAC Name 9-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-purine-3,7-diium-6-one
Molecular Mass 282.253 g·mol−1
Heat of Formation -683.7 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 301.74 Å 3
Surface Area 266.79 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey WJNGQIYEQLPJMN-GIDNPQMSSA-P
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