[[(2R,3S,5R)-5-[2-(4-Butylanilino)-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H30N5O13P3+
IUPAC Name [[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 641.399 g·mol−1
Heat of Formation -3015.0 ± 16.7 kJ·mol−1
Dipole Moment 9.32 ± 1.08 D
Volume 660.93 Å 3
Surface Area 506.7 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
InChIKey GPOKAZLJCWCBEY-ARFHVFGLSA-P
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