2-Amino-9-{5-O-[{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}(Sulfanyl)Phosphoryl]Pentofuranosyl}-1,9-Dihydro-6H-Purin-6-One

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Formula C10H17N5O13P3S
IUPAC Name (r)-[(2r,3s,4s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-sulfido-phosphonium
Molecular Mass 540.254 g·mol−1
Heat of Formation -3042.2 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 508.7 Å 3
Surface Area 406.6 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey YRUWXBKVSXSSGS-KIOICMOXSA-N
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