[(2R,3S,5R)-5-[2-(Ethylamino)-6-Oxo-1H-Purine-3,7-Diium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H18N5O7P
IUPAC Name [(2r,3s,5r)-5-[2-(ethylamino)-6-oxo-1h-purine-3,7-diium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 375.274 g·mol−1
Heat of Formation -1345.1 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 399.17 Å 3
Surface Area 362.91 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey GJDSTBGFGHZMOV-XLPZGREQSA-P
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