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

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Formula C19H26N8O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 636.403 g·mol−1
Heat of Formation -2585.0 ± 16.7 kJ·mol−1
Dipole Moment 10.97 ± 1.08 D
Volume 638.02 Å 3
Surface Area 464.91 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey GTIZDXUBQJJEBN-AONHZOMNSA-P
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