2-Amino-9-[(2R,3R,4S,5R)-2-(2-Fluoroethyl)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-3,9-Diium-6-One

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Formula C12H23FN5O5+
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-2-(2-fluoroethyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 336.340 g·mol−1
Heat of Formation -802.8 ± 16.7 kJ·mol−1
Dipole Moment 12.97 ± 1.08 D
Volume 350.8 Å 3
Surface Area 294.48 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey GTACGCCYFNHQQD-JTFADIMSSA-N
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