[(1S)-1-[(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)Methyl]-2-Hydroxy-Ethoxy]Methylphosphonic Acid

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Formula C9H14N5O6P
IUPAC Name [(1s)-1-[(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
Molecular Mass 319.211 g·mol−1
Heat of Formation -1122.5 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 327.87 Å 3
Surface Area 271.22 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey UPCZSIFOZGDCQL-YFKPBYRVSA-P
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