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

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Formula C23H29N5O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acid
Molecular Mass 645.450 g·mol−1
Heat of Formation -2461.7 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 673.94 Å 3
Surface Area 542.08 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey HGVIGDGIHWCTPG-JKWAKEATSA-O
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