[(2R,3S,5R)-5-(1-Ethyl-2,6-Dioxo-3H-Purin-7-Ium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H18N4O8P
IUPAC Name [(2r,3s,5r)-5-(1-ethyl-2,6-dioxo-3h-purin-7-ium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 377.267 g·mol−1
Heat of Formation -1580.1 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 390.86 Å 3
Surface Area 344.6 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey CXLFTBLPVASOIR-YMPCNCKUSA-P
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