[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Phosphate

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Formula C20H29N7O20P4++
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] phosphate
Molecular Mass 811.374 g·mol−1
Heat of Formation -4248.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 786.4 Å 3
Surface Area 574.64 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey RDFXAFUSLHUCOT-SLFMBYJQSA-Q
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