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

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Formula C21H32N7O17P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(3s)-3-carbamoyl-3,6-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 747.437 g·mol−1
Heat of Formation -679.9 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 586.95 Å 3
Surface Area 446.24 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -2.82 ± eV
Point Group Symmetry C1
InChIKey MGWIKFWDIJJFDG-ILTSWSAWSA-N
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