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 C20H26N10O15P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(2r)-2-[(2s,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-dihydroxyphosphoryloxy-ethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 708.426 g·mol−1
Heat of Formation -551.3 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 610.78 Å 3
Surface Area 436.42 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -3.86 ± eV
Point Group Symmetry C1
InChIKey GWPHQANIBIHXEA-YFTASTLLSA-N
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