[(1S)-1-[(2,6-Diaminopurine-1,3,7-Triium-9-Yl)Methyl]-2-Hydroxy-Ethoxy]Methylphosphonic Acid

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Formula C9H15N6O5P
IUPAC Name [(1s)-1-[(2,6-diaminopurine-1,3,7-triium-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
Molecular Mass 318.226 g·mol−1
Heat of Formation -944.4 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 337.73 Å 3
Surface Area 285.09 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey UJWTXTBOTNOFSM-YFKPBYRVSA-O
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