[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Dihydroxy-Sulfido-Phosphonium

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Formula C10H17N4O13P3S
IUPAC Name [[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-dihydroxy-sulfido-phosphonium
Molecular Mass 526.247 g·mol−1
Heat of Formation -2975.8 ± 16.7 kJ·mol−1
Dipole Moment 13.76 ± 1.08 D
Volume 493.76 Å 3
Surface Area 381.26 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey GTYITFKJOHNQMI-KQYNXXCUSA-P
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