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

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Properties Simple | Detailed

Formula C10H16N5O12P3
IUPAC Name [[(2s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 491.182 g·mol−1
Heat of Formation -2877.7 ± 16.7 kJ·mol−1
Dipole Moment 9.25 ± 1.08 D
Volume 468.68 Å 3
Surface Area 406.18 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey QDWYBFSUUMKKMU-NTSWFWBYSA-P
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