2'-Deoxy-8-Oxo-8-Hydroadenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H16N5O10P2
IUPAC Name [(2r,3s,5r)-5-(6-amino-8-oxo-7h-purine-1,3-diium-5-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 428.209 g·mol−1
Heat of Formation -2218.1 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 417.84 Å 3
Surface Area 337.95 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey FEPFWQCDWZFLGY-KVQBGUIXSA-N
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