2'-Deoxy-5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphorothioyl)Adenosine

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Formula C10H16N5O11P3S
IUPAC Name [[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-(35p)phosphinothioyl] phosphono hydrogen phosphate
Molecular Mass 511.247 g·mol−1
Heat of Formation -922.4 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 434.78 Å 3
Surface Area 336.22 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -2.90 ± eV
Point Group Symmetry C1
InChIKey CCPIKNHZOWQALM-PMDYSDCVSA-N
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