[(2R,3S,5R)-5-[2-Amino-6-(2-Hydroxyethoxy)-8H-Purin-9-Ium-8-Ylium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H18N5O8P
IUPAC Name [(2r,3s,5r)-5-[2-amino-6-(2-hydroxyethoxy)-8h-purin-9-ium-8-ylium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 391.274 g·mol−1
Heat of Formation -1495.0 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 398.16 Å 3
Surface Area 360.21 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey LGYJNJBQWIFPAM-XLPZGREQSA-N
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