4-Amino-7-Pentofuranosyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxamide

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Formula C12H16N5O5
IUPAC Name 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 310.286 g·mol−1
Heat of Formation -708.3 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 330.78 Å 3
Surface Area 286.7 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey OBZJZDHRXBKKTJ-QNQPIPONSA-N
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