[(6R,7R,8S,12S,13R)-7-(6-Aminopurine-1,3,7-Triium-9-Yl)-12-Hydroxy-23-Oxatricyclo[Blah.Blah.Blah.Blah]Nonan-13-Yl] Dihydrogen Phosphate

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Formula C13H16N5O6P
IUPAC Name [(6r,7r,8s,12s,13r)-7-(6-aminopurine-1,3,7-triium-9-yl)-12-hydroxy-23-oxatricyclo[blah.blah.blah.blah]nonan-13-yl] dihydrogen phosphate
Molecular Mass 369.270 g·mol−1
Heat of Formation -1034.1 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 382.4 Å 3
Surface Area 321.0 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey FLEWJHIBMBEABN-CZUHXBHISA-O
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