9-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphorothioyl)-D-Erythro-Pentofuranosyl]-9H-Purin-6-Amine

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Formula C10H16N5O11P3S
IUPAC Name [[(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 507.247 g·mol−1
Heat of Formation -908.0 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 455.53 Å 3
Surface Area 385.36 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey CCPIKNHZOWQALM-UKFWVRIFSA-N
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