2-Amino-5-[[[(1S,4S,5R)-4,5-Dihydroxycyclopent-2-En-1-Yl]Amino]Methyl]-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1H-Pyrrolo[2,3-D]Pyrimidin-3-Ium-4-One

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Formula C17H23N5O7
IUPAC Name 2-amino-5-[[[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[2,3-d]pyrimidin-3-ium-4-one
Molecular Mass 409.394 g·mol−1
Heat of Formation -957.7 ± 16.7 kJ·mol−1
Dipole Moment 11.79 ± 1.08 D
Volume 452.3 Å 3
Surface Area 382.13 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
InChIKey HJOZSDGEFKILMI-AEZJAUAXSA-P
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