Triphosphoric Acid, Mono[2-[(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)Methoxy]Ethyl] Ester

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Properties Simple | Detailed

Formula C8H15N5O12P3
IUPAC Name [2-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 466.152 g·mol−1
Heat of Formation -2895.4 ± 16.7 kJ·mol−1
Dipole Moment 13.15 ± 1.08 D
Volume 430.29 Å 3
Surface Area 329.08 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-amino-6-keto-3h-purin-9-yl)methoxy]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]ethyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • 9-(2-hydroxyethoxymethyl)guanine triphosphate
  • aciclovir-triphosphate
  • acyclogtp
  • acyclovir triphosphate
  • triphosphoric acid, p-[2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy]ethyl] ester
CAS Number(s)
  • 66341-18-2
  • 72235-82-6
InChIKey AYWLSIKEOSXJLA-UHFFFAOYSA-N
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