5-Iodo-7-(β-D-Glycero-Pentofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Formula C11H14IN4O4
IUPAC Name (2s,3r,4s,5r)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 393.158 g·mol−1
Heat of Formation -450.1 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 326.87 Å 3
Surface Area 285.98 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey WHSIXKUPQCKWBY-YRCUVVFSSA-N
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