[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[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,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[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 -2240.3 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 610.36 Å 3
Surface Area 467.06 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey AXNYZTMSSBBNDY-YNEHKIRRSA-P
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