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

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Formula C12H20N6O8P2
IUPAC Name [(e)-2-[2-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)ethyl-[2-(phosphonomethoxy)ethyl]amino]vinyl]phosphonic acid
Molecular Mass 438.270 g·mol−1
Heat of Formation -1652.8 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 461.76 Å 3
Surface Area 386.17 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey ROMBCJVPRSQRHW-GQCTYLIASA-P
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