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

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Properties Simple | Detailed

Formula C11H14N4O5
IUPAC Name 2-(1-hydroxyethyl)-5-(6-hydroxypurin-7-yl)tetrahydrofuran-3,4-diol
Molecular Mass 282.253 g·mol−1
Heat of Formation 522.2 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 291.27 Å 3
Surface Area 271.64 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey DQHCWWAARZMHKW-YZUKFSGZSA-N
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