[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-5H-1,3-Selenazol-3-Ium-5-Id-2-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methyl]Phosphinic Acid

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Formula C20H28N7O13P2Se
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[(2r,3s,4r,5r)-5-(4-carbamoyl-5h-1,3-selenazol-3-ium-5-id-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid
Molecular Mass 715.383 g·mol−1
Heat of Formation -2359.7 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 684.83 Å 3
Surface Area 572.58 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey RIVQJKWTAJUPIV-HVIRUEHBSA-O
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