[(R)-[[[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]-Chloro-Methyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C11H17ClN5O12P3
IUPAC Name [(r)-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-chloro-methyl]phosphonic acid
Molecular Mass 539.653 g·mol−1
Heat of Formation -2690.1 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 517.37 Å 3
Surface Area 437.17 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
InChIKey NBUXXCGGVBSBAQ-AVAJSQPUSA-P
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Elements C Cl H O N P