Triphosphoric Acid, Mono[[(2S,5R)-5-(3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)Tetrahydro-2-Furanyl]Methyl] Ester

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Formula C10H15N4O12P3
IUPAC Name [hydroxy-[[(2s,5r)-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 476.167 g·mol−1
Heat of Formation -2886.2 ± 16.7 kJ·mol−1
Dipole Moment 11.89 ± 1.08 D
Volume 444.49 Å 3
Surface Area 329.84 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-phosphonooxy-phosphoryl) [(2s,5r)-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxy-phosphoryl) [(2s,5r)-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxy-phosphoryl) [(2s,5r)-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2s,5r)-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2s,5r)-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
  • 2',3'-dideoxyribosylinosine 5'-triphosphate
  • dditp
  • dditp compound
  • inosine, 2',3'-dideoxy-, 5'-triphosphate
  • inosine, 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-
CAS Number(s)
  • 122406-02-4
  • 93858-64-1
InChIKey ZXZIQGYRHQJWSY-NKWVEPMBSA-N
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