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

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Properties Simple | Detailed

Formula C21H6N7O18P3
IUPAC Name [5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoyl-4-oxo-3h-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 737.230 g·mol−1
Heat of Formation -1113.4 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 659.38 Å 3
Surface Area 576.77 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -2.81 ± eV
Point Group Symmetry C1
InChIKey PIXSDSMVQQICPA-UHFFFAOYSA-O
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