[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H26N7O16P2++
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 670.395 g·mol−1
Heat of Formation -3128.1 ± 16.7 kJ·mol−1
Dipole Moment 14.00 ± 1.08 D
Volume 661.36 Å 3
Surface Area 487.72 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey HAAHYVPAWBJXPL-VMIOUTBZSA-R
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