9-(6-Deoxy-β-D-Allofuranosyl)-6-Methylpurine

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Properties Simple | Detailed

Formula C12H16N4O4
IUPAC Name (2r,3s,4r,5r)-2-[(1r)-1-hydroxyethyl]-5-(6-methyl-8h-purin-9-ium-8-ylium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 280.280 g·mol−1
Heat of Formation -511.1 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 311.15 Å 3
Surface Area 278.84 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey XJZDIUOABWMPLZ-FHQKJXBVSA-N
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