2-Amino-9-{5-O-[(R)-Hydroxy{[(S)-Hydroxy(Thiophosphonooxy)Phosphoryl]Oxy}Phosphoryl]-α-L-Arabinofuranosyl}-1,9-Dihydro-6H-Purin-6-One

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Formula C10H23N5O13P3S+
IUPAC Name [[(2s,3r,4r,5r)-5-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Molecular Mass 546.302 g·mol−1
Heat of Formation -3055.8 ± 16.7 kJ·mol−1
Dipole Moment 13.17 ± 1.08 D
Volume 500.99 Å 3
Surface Area 372.43 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey XOFLBQFBSOEHOG-BZKDHIKHSA-N
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