9-(5-O-{Hydroxy[(Hydroxy{[(4E)-6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1,3-Dihydro-2-Benzofuran-5-Yl)-4-Methyl-4-Hexen-1-Yl]Oxy}Phosphoryl)Methyl]Phosphoryl}-L-Ribofuranosyl)-9H-Purin-6-Amine

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Formula C28H37N5O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoxy]phosphoryl]methyl]phosphinic acid
Molecular Mass 713.567 g·mol−1
Heat of Formation -2448.4 ± 16.7 kJ·mol−1
Dipole Moment 9.92 ± 1.08 D
Volume 783.98 Å 3
Surface Area 646.15 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey GEDBIZYYBQEOSL-RIFVUCJDSA-L
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