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

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Formula C16H25N5O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[[(2r,3r,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]phosphinic acid
Molecular Mass 557.343 g·mol−1
Heat of Formation -2611.8 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 558.62 Å 3
Surface Area 470.11 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey SZUIMWOHJOINLE-CAUCCWOKSA-O
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