[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl]Oxy-Oxido-Phosphoryl] Phosphate

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Properties Simple | Detailed

Formula C20H26N7O20P4
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 812.382 g·mol−1
Heat of Formation -3349.6 ± 16.7 kJ·mol−1
Dipole Moment 21.47 ± 1.08 D
Volume 844.6 Å 3
Surface Area 672.25 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
InChIKey WLGHSSFVEUABFP-SLFMBYJQSA-J
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