Triphosphoric Acid, Mono[2-[(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)Methoxy]-3-Hydroxypropyl] Ester

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Formula C9H16N5O13P3
IUPAC Name [[[2-[(2-amino-6-hydroxy-3h-purin-9-ium-9-yl)methoxy]-3-hydroxy-propoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 495.170 g·mol−1
Heat of Formation -911.9 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 413.63 Å 3
Surface Area 362.53 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -4.47 ± eV
Point Group Symmetry C1
InChIKey OBABDJMYPMAQEP-YFKPBYRVSA-N
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