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

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Formula C22H31N7O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoyl-5-methyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 679.468 g·mol−1
Heat of Formation -2652.0 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 703.86 Å 3
Surface Area 482.4 Å 2
HOMO Energy -7.76 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey YIJSIEJMUVGBMB-SWOWCTPLSA-P
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