[(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

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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 -2219.0 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 415.62 Å 3
Surface Area 362.81 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey AGEVLZLLHRKCQS-UJPMFKPNSA-O
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