[(E)-2-[2-[2-(6-Oxo-1H-Purine-3,7-Diium-9-Yl)Ethyl-(2-Phosphonoethyl)Amino]Ethoxy]Vinyl]Phosphonic Acid

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Formula C13H21N5O8P2
IUPAC Name [(e)-2-[2-[2-(6-oxo-1h-purine-3,7-diium-9-yl)ethyl-(2-phosphonoethyl)amino]ethoxy]vinyl]phosphonic acid
Molecular Mass 437.282 g·mol−1
Heat of Formation -1627.6 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 476.99 Å 3
Surface Area 423.14 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey WGFXXZKMCJJNMK-SOFGYWHQSA-P
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