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

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Formula C12H17N4O5
IUPAC Name (2r,3r,4s,5r)-2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 297.287 g·mol−1
Heat of Formation -739.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 323.0 Å 3
Surface Area 275.85 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey HVMYWBSUWVFUFB-WOUKDFQISA-O
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