[[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C21H30N7O17P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 745.421 g·mol−1
Heat of Formation -3629.4 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 739.25 Å 3
Surface Area 582.53 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey JWMNTVGPPWTXQL-NNYOXOHSSA-O
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