[(2R,3R,5S)-2-(6-Aminopurin-9-Ium-9-Yl)-5-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] (1S)-1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrole-3-Carboxylate

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Formula C19H29N6O11P2+
IUPAC Name [(2r,3r,5s)-2-(6-aminopurin-9-ium-9-yl)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (1s)-1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboxylate
Molecular Mass 579.415 g·mol−1
Heat of Formation -2230.6 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 617.77 Å 3
Surface Area 487.62 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey OKZJCCJOTGBQMI-KANYHAFZSA-N
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