[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-[(2S)-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

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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-[(2s)-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 -2764.8 ± 16.7 kJ·mol−1
Dipole Moment 17.63 ± 1.08 D
Volume 700.92 Å 3
Surface Area 549.92 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey ZCNLQKNZNCCVHJ-RLMPAKMUSA-R
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