2-[2-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Ethyl-[2-(2-Phosphonoethoxy)Ethyl]Amino]Ethylphosphonic Acid

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Formula C13H25N6O8P2
IUPAC Name 2-[2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)ethyl-[2-(2-phosphonoethoxy)ethyl]amino]ethylphosphonic acid
Molecular Mass 455.321 g·mol−1
Heat of Formation -1703.0 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 484.17 Å 3
Surface Area 377.36 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
InChIKey QXRHLMNVOBDEGK-UHFFFAOYSA-P
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