2-Amino-9-{(4Xi)-5-O-[Hydroxy(Thiophosphonooxy)Phosphoryl]-D-Erythro-Pentofuranosyl}-3,9-Dihydro-6H-Purin-6-One

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Formula C10H17N5O10P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-dihydroxy-sulfido-phosphonium
Molecular Mass 461.282 g·mol−1
Heat of Formation -2186.2 ± 16.7 kJ·mol−1
Dipole Moment 9.81 ± 1.08 D
Volume 437.16 Å 3
Surface Area 347.44 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
InChIKey QJXJXBXFIOTYHB-HAVMAKPUSA-N
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