[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [Hydroxy-[(1R)-1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate

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Formula C18H23N6O16P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
Molecular Mass 672.327 g·mol−1
Heat of Formation -3161.1 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 666.69 Å 3
Surface Area 526.15 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey IYVNFNKVRHCACH-JPDTYCKISA-P
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