7-(6-Deoxy-β-D-Allofuranosyl)-3,7-Dihydro-6H-Purin-6-One

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Formula C11H15N4O5
IUPAC Name (2r,3s,4r,5s)-2-[(1r)-1-hydroxyethyl]-5-(6-hydroxypurine-1,3,9-triium-5-id-7-yl)tetrahydrofuran-3,4-diol
Molecular Mass 283.261 g·mol−1
Heat of Formation -645.5 ± 16.7 kJ·mol−1
Dipole Moment 9.39 ± 1.08 D
Volume 299.84 Å 3
Surface Area 258.72 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey DQHCWWAARZMHKW-PVRNJEFGSA-N
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