2-(2,6-Diaminopurine-1,3,7-Triium-9-Yl)Ethoxymethylphosphonic Acid

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Formula C8H13N6O4P
IUPAC Name 2-(2,6-diaminopurine-1,3,7-triium-9-yl)ethoxymethylphosphonic acid
Molecular Mass 288.200 g·mol−1
Heat of Formation -715.6 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 305.25 Å 3
Surface Area 263.74 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey UMAOJSAVPCRATO-UHFFFAOYSA-O
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