[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C10H15N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 427.201 g·mol−1
Heat of Formation -2152.3 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 408.39 Å 3
Surface Area 360.11 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey JUUDEAPXOSBSKI-KQYNXXCUSA-O
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