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

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Formula C12H16N5O4S
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbothioamide
Molecular Mass 326.352 g·mol−1
Heat of Formation -442.1 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 351.65 Å 3
Surface Area 305.81 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey WQEXXJAMKCXPCB-JTFADIMSSA-O
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