[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C10H15N5O10P2
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 427.201 g·mol−1
Heat of Formation -2226.1 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 410.82 Å 3
Surface Area 349.29 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey QNXVVAFLTZSFCP-KVQBGUIXSA-P
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