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

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [[(2s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3046.1 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 486.92 Å 3
Surface Area 413.31 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey XLRHJPFWJYAUPD-OBXARNEKSA-P
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