[3-[[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid

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Formula C21H30N10O19P4
IUPAC Name [(2r,3s,4r,5r)-3-[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 850.414 g·mol−1
Heat of Formation -1678.6 ± 16.7 kJ·mol−1
Dipole Moment 18.18 ± 1.08 D
Volume 750.2 Å 3
Surface Area 493.16 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -3.16 ± eV
Point Group Symmetry C1
InChIKey QFHKDAVOJDVDDK-XPWFQUROSA-N
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