2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-6-Deoxy-5-O-Phosphono-β-D-Allofuranosyl}-3,9-Dihydro-6H-Purin-6-One

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Formula C20H28N10O15P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-[(2r)-2-[(2s,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-phosphonooxy-ethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 710.442 g·mol−1
Heat of Formation -2751.7 ± 16.7 kJ·mol−1
Dipole Moment 20.82 ± 1.08 D
Volume 705.92 Å 3
Surface Area 529.6 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey GWPHQANIBIHXEA-RLMPAKMUSA-N
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