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

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Formula C10H14N5O7P
IUPAC Name [(2s,3s,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -1344.8 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 352.03 Å 3
Surface Area 304.19 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey AWTNEIJTAQQWCN-KMPDEGCQSA-O
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