5'-O-[{[{[(3Ar,5R,6R,6Ar)-2,6-Dihydroxy-2-Oxidotetrahydrofuro[2,3-D][1,3,2]Dioxaphosphol-5-Yl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Formula C15H22N5O16P3
IUPAC Name [[(2s,3ar,5r,6r,6ar)-2,6-dihydroxy-2-oxo-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 621.280 g·mol−1
Heat of Formation -3524.3 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 587.08 Å 3
Surface Area 415.27 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey NPSPRYXPOGPCPM-KEOHHSTQSA-N
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