[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-1,5-Dihydropyrrolo[2,3-D]Pyrimidine-3,7-Diium-5-Id-7-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C11H16N3O13P3
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(4-oxo-1,5-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-7-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 491.178 g·mol−1
Heat of Formation -3064.8 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 466.39 Å 3
Surface Area 379.1 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey TUVLMLCMRLGCDG-DJLDLDEBSA-P
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