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 C20H6N10O15P2
IUPAC Name 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
Molecular Mass 688.267 g·mol−1
Heat of Formation -551.3 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 611.05 Å 3
Surface Area 436.47 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -3.77 ± eV
Point Group Symmetry C1
InChIKey GWPHQANIBIHXEA-YFTASTLLSA-N
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