9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-3,9-Dihydro-6H-Purine-6-Thione

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Formula C10H16N4O13P3S
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 525.239 g·mol−1
Heat of Formation -2957.6 ± 16.7 kJ·mol−1
Dipole Moment 12.16 ± 1.08 D
Volume 493.36 Å 3
Surface Area 398.93 Å 2
HOMO Energy -7.83 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
InChIKey GQNRDWAOABGWGP-FCIPNVEPSA-N
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