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

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Formula C10H16N5O12P3
IUPAC Name [[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 491.182 g·mol−1
Heat of Formation -2880.9 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 465.48 Å 3
Surface Area 388.68 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey ICDSOSSPOPYNTJ-RRKCRQDMSA-O
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