[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Iodopyridin-1-Ium-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Formula C20H27IN6O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r)-3-hydroxy-2-[(3-iodo-4h-pyridin-4-id-1-yl)methoxy]-4-oxo-butyl] hydrogen phosphate
Molecular Mass 748.313 g·mol−1
Heat of Formation -2400.6 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 677.52 Å 3
Surface Area 451.88 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey STQMRCIKJZJBHO-HISDBWNOSA-P
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