3'-O-{[2-(Carboxyoxy)Ethoxy](Hydroxy)Phosphoryl}Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C13H17N5O19P4
IUPAC Name carbon dioxide; [(1r,2r)-2-[[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]methoxy]-1-formyl-3-[oxido-[oxido-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]phosphoryl]oxy-phosphoryl]oxy-propyl] methyl phosphate; methanone
Molecular Mass 671.191 g·mol−1
Heat of Formation -4392.0 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 633.47 Å 3
Surface Area 507.28 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (pg-atp)n
  • 2-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl]oxy-hydroxyphosphoryl]oxyethyl hydrogen carbonate
  • 2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxy-phosphoryl]oxyethyl hydrogen carbonate
  • 2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyethyl hydrogen carbonate
  • 2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl hydrogen carbonate
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-carboxy-2-hydroxyethyl hydrogen phophate), homopolymer
  • oligo-phosphoglyceroyl-atp
  • pg-atp
  • phosphoglyceroyl-adenosine triphosphate
  • phosphoglyceroyl-atp
  • purinogen
CAS Number(s)
  • 124199-67-3
InChIKey TZLSNZNCXRZZCL-WOUKDFQISA-N
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