[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Thioxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C10H15N4O10P2S
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 445.259 g·mol−1
Heat of Formation -2070.9 ± 16.7 kJ·mol−1
Dipole Moment 11.36 ± 1.08 D
Volume 432.06 Å 3
Surface Area 368.86 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey KYABZDUAHNMTNO-KQYNXXCUSA-P
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