Triphosphoric Acid, Mono[(2R)-2-[(1R)-1-(3H-Imidazo[2,1-I]Purin-3-Yl)-2-Oxoethoxy]-3-Oxopropyl] Ester

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Properties Simple | Detailed

Formula C12H13N5O13P3
IUPAC Name (hydroxy-phosphonooxyphosphoryl) [(2r)-2-[(1r)-1-imidazo[2,1-f]purin-3-yl-2-oxoethoxy]-3-oxopropyl] hydrogen phosphate
Molecular Mass 528.179 g·mol−1
Heat of Formation -2717.8 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 513.44 Å 3
Surface Area 412.85 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-phosphonooxy-phosphoryl) [(2r)-2-[(1r)-1-imidazo[2,1-f]purin-3-yl-2-keto-ethoxy]-3-keto-propyl] hydrogen phosphate
  • (hydroxy-phosphonooxy-phosphoryl) [(2r)-2-[(1r)-1-imidazo[2,1-f]purin-3-yl-2-oxo-ethoxy]-3-oxo-propyl] hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2r)-2-[(1r)-1-(3-imidazo[2,1-f]purinyl)-2-oxoethoxy]-3-oxopropyl] hydrogen phosphate
  • 2',3'-dialdehyde etheno-atp
  • dial-epsilon atp
  • ethenoadenosine triphosphate-2',3'-dialdehyde
  • triphosphoric acid, mono(2-(1-(3h-imidazo(2,1-i)purin-3-yl)-2-oxoethoxy)-3-oxopropyl) ester, (r-(r*,r*))-
CAS Number(s)
  • 84184-92-9
InChIKey KWEJUGDXGRJLPD-DTWKUNHWSA-N
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