[2-[(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Methyl]-3-(Phosphonomethoxy)Propoxy]Methylphosphonic Acid

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Formula C11H20N5O9P2
IUPAC Name [2-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
Molecular Mass 428.252 g·mol−1
Heat of Formation -1888.4 ± 16.7 kJ·mol−1
Dipole Moment 13.43 ± 1.08 D
Volume 441.61 Å 3
Surface Area 368.93 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey XIRLFAHJXVTZMI-UHFFFAOYSA-P
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