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

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Formula C11H19N5O15P4
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 585.188 g·mol−1
Heat of Formation -3566.2 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 560.93 Å 3
Surface Area 467.77 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey NNXFFDHUUYCGEA-IOSLPCCCSA-O
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