2-Amino-9-{(4Xi)-5-O-[{[6-(Carboxymethyl)-3,5-Dimethyl-2-Oxo-1,2-Dihydro-4-Pyridinyl]Oxy}(Hydroxy)Phosphoryl]-D-Erythro-Pentofuranosyl}-1,9-Dihydro-6H-Purin-6-One

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Formula C19H24N6O11P+
IUPAC Name 2-[4-[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3,5-dimethyl-6-oxo-pyridin-1-ium-5-id-2-yl]acetic acid
Molecular Mass 543.401 g·mol−1
Heat of Formation -2020.8 ± 16.7 kJ·mol−1
Dipole Moment 15.53 ± 1.08 D
Volume 560.32 Å 3
Surface Area 397.89 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey GTHOTKPHMGEHFD-ACDAHVMNSA-N
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