[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate

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Properties Simple | Detailed

Formula C21H27FN7O13P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 666.424 g·mol−1
Heat of Formation -2658.8 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 660.26 Å 3
Surface Area 498.72 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey JSGNSBZQCQQLEF-OZCXFSBSSA-N
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