N-(2-Phenylethyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Formula C18H24N5O13P3
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-phenylethylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 611.330 g·mol−1
Heat of Formation -2973.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 609.71 Å 3
Surface Area 493.57 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-phenylethylamino)-9-purinyl]-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-phenylethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
InChIKey PSPRNONTFBJUDQ-SCFUHWHPSA-N
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