9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Xylofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3054.7 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 472.93 Å 3
Surface Area 399.91 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 9-beta-xylofuranosyladenine 5'-triphosphate
  • 9h-purin-6-amine, 9-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-xylofuranosyl)-
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • xylo-atp
  • xylosyl-atp
CAS Number(s)
  • 653-60-1
InChIKey ZKHQWZAMYRWXGA-GAWUUDPSSA-N
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