[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H24N7O17P3
IUPAC Name [[2-[[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]methoxy]-2-(2-oxido-2-oxo-1,3,2λ5-dioxaphosphetan-4-yl)ethoxy]-oxido-phosphoryl] [(5s)-5-[2-(oxaziren-3-yl)pent-3-ynylamino]-3,4-dioxo-tetrahydrofuran-2-yl]methyl phosphate; formaldehyde
Molecular Mass 739.373 g·mol−1
Heat of Formation -835.3 ± 16.7 kJ·mol−1
Dipole Moment 10.27 ± 1.08 D
Volume 645.33 Å 3
Surface Area 443.07 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
InChIKey ONOVTRNLNDQWGA-CBYLYETKSA-N
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