[(2R,3S,4R,5R)-4-Hydroxy-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]-5-(6-Oxo-1H-Purine-3,7-Diium-9-Yl)Tetrahydrofuran-3-Yl] 2-(Methylamino)Benzoate

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Formula C18H22N5O15P3
IUPAC Name [(2r,3s,4r,5r)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-5-(6-oxo-1h-purine-3,7-diium-9-yl)tetrahydrofuran-3-yl] 2-(methylamino)benzoate
Molecular Mass 641.313 g·mol−1
Heat of Formation -3316.1 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 629.08 Å 3
Surface Area 513.82 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey SCMILIZEXCUPQF-LSCFUAHRSA-P
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