2-Amino-9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-3,9-Dihydro-6H-Purine-6-Thione

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Formula C10H15N5O6PS
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 364.295 g·mol−1
Heat of Formation -1074.4 ± 16.7 kJ·mol−1
Dipole Moment 15.98 ± 1.08 D
Volume 369.67 Å 3
Surface Area 314.12 Å 2
HOMO Energy -7.52 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey YIPMDIYPXBPBNC-KVQBGUIXSA-N
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