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

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Formula C21H26N6O15P2
IUPAC Name [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-4-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-hydroxypurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate
Molecular Mass 664.410 g·mol−1
Heat of Formation -2866.9 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 657.45 Å 3
Surface Area 468.63 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
InChIKey DGVSIBCCYUVRNA-NNYOXOHSSA-P
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