(1Xi)-1,4-Anhydro-2-Deoxy-1-(2,6-Diamino-7H-Purin-8-Yl)-2,2-Difluoro-D-Erythro-Pentitol

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Formula C10H12F2N6O3
IUPAC Name (2r,3r,5r)-5-(2,6-diaminopurin-7-ium-8-ylium-8-yl)-4,4-difluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 302.237 g·mol−1
Heat of Formation -654.9 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 307.38 Å 3
Surface Area 282.72 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey UPHLSICWROERBL-WITFEUSKSA-N
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