2-Amino-9-[(3Xi)-3-Azido-3-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-D-Erythro-Pentofuranosyl]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H17N8O13P3
IUPAC Name [[(2s,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 550.209 g·mol−1
Heat of Formation -2707.4 ± 16.7 kJ·mol−1
Dipole Moment 12.56 ± 1.08 D
Volume 511.0 Å 3
Surface Area 417.77 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey WOGPQJALDXTZMM-AYQXTPAHSA-N
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