[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C19H26N8O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 652.402 g·mol−1
Heat of Formation -2793.0 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 655.28 Å 3
Surface Area 471.91 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey JHCQFQPAJIVODY-KPKSGTNCSA-P
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