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

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Formula C11H18N5O12P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 505.208 g·mol−1
Heat of Formation -2718.9 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 487.92 Å 3
Surface Area 421.22 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey OLOZVUTYRCOMOD-IOSLPCCCSA-O
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