(2-{[2-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Ethyl][2-(2-Phosphonoethoxy)Ethyl]Amino}Ethyl)Phosphonic Acid

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Formula C13H31N6O8P2+
IUPAC Name 2-[2-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)ethyl-[2-(2-phosphonoethoxy)ethyl]amino]ethylphosphonic acid
Molecular Mass 461.368 g·mol−1
Heat of Formation -1728.3 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 491.86 Å 3
Surface Area 380.79 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey ONMAFLJUDYCSLA-UHFFFAOYSA-N
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