9-[5-O-(Hydroxy{[Hydroxy(Phosphonoamino)Phosphoryl]Oxy}Phosphoryl)-α-L-Arabinofuranosyl]-9H-Purin-6-Amine

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Formula C10H17N6O12P3
IUPAC Name [[[[(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 506.196 g·mol−1
Heat of Formation -2799.8 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 480.14 Å 3
Surface Area 374.98 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey PVKSNHVPLWYQGJ-FCIPNVEPSA-N
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