4-Amino-7-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carboxamide

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Formula C12H15N5O4
IUPAC Name 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 293.279 g·mol−1
Heat of Formation -560.8 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 318.12 Å 3
Surface Area 276.79 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey HNYBQPCSXXOXLO-XLPZGREQSA-O
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