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

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Formula C9H12N5O6P
IUPAC Name [(3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 317.195 g·mol−1
Heat of Formation -1126.6 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 314.26 Å 3
Surface Area 285.53 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey XVWAOBLUJLFELV-AFEQZKEHSA-O
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