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

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Properties Simple | Detailed

Formula C11H4N4O5
IUPAC Name [(e)-n-cyano-c-[1-[(e)-[(5z)-5-(oxiran-2-ylidene)-3,4-dioxo-tetrahydrofuran-2-ylidene]amino]-2-oxo-vinyl]carbonimidoyl]-methylidyne-ammonium
Molecular Mass 272.173 g·mol−1
Heat of Formation 522.2 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 289.64 Å 3
Surface Area 271.35 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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