[[(2S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C10H16N5O11P3
IUPAC Name [[(2s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 475.182 g·mol−1
Heat of Formation -2716.8 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 446.21 Å 3
Surface Area 374.05 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
InChIKey HJJKBPDFPKMKHI-NKWVEPMBSA-O
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