[(2R,3R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-2,3-Dihydrofuran-5-Yl]Methoxy-N-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Phosphonamidic Acid

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Formula C20H26N11O15P3
IUPAC Name [(2r,3r)-2-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-2,3-dihydrofuran-5-yl]methoxy-n-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]phosphonamidic acid
Molecular Mass 753.406 g·mol−1
Heat of Formation -2931.4 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 740.15 Å 3
Surface Area 531.96 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey DPWSCFPUTACTCA-XJBFIMGMSA-P
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