5'-O-(Hydroxy{[Hydroxy(Phosphonomethyl)Phosphoryl]Oxy}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 505.208 g·mol−1
Heat of Formation -2753.1 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 483.12 Å 3
Surface Area 372.51 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, monohydride with methylenebis(phosphonic acid)
  • 5'-adenylyl (beta,gamma-methylene)diphosphonate
  • 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy(phosphonomethyl)phosphinyl]oxy]phosphinyl]-.beta.-d-ribofuranosyl]-
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
  • abg
  • acp
  • adenosine 5'-[beta,gamma-methylene]triphosphate
  • adenosine 5'-beta,gamma-mu-methylenetriphosphate
  • adenosine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid
  • adenosine 5'-o-[.beta., .gamma.-methylene]-triphosphate
  • adenosine-5'-[beta, gamma-methylene]triphosphate
  • amp-pcp
  • beta,gamma-methylene atp
  • phosphomethylphosphonic acid adenylate ester
CAS Number(s)
  • 3469-78-1
InChIKey UFZTZBNSLXELAL-IOSLPCCCSA-N
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