Xanthosine 5-Triphosphate

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Properties Simple | Detailed

Formula C10H19N4O15P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2,6-dioxo-3,8-dihydropurine-4,5,7,8-tetraid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 528.197 g·mol−1
Heat of Formation -3432.6 ± 16.7 kJ·mol−1
Dipole Moment 10.73 ± 1.08 D
Volume 487.82 Å 3
Surface Area 408.8 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2,6-diketo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
InChIKey CAEFEWVYEZABLA-UUOKFMHZSA-N
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