2-(6-Aminopurin-9-Yl)Ethoxymethyl-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C8H14N5O10P3
IUPAC Name 2-(6-aminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 433.146 g·mol−1
Heat of Formation -2478.2 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 401.9 Å 3
Surface Area 309.26 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate
  • 2-(6-amino-9-purinyl)ethoxymethyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • 2-(6-aminopurin-9-yl)ethoxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
  • 9-(2-phosphonylmethoxyethyl)adenine diphosphate
  • 9-(meoet)-a-tp
  • diphosphoric acid, monoanhydride with ((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)phosphonic acid
  • diphosphoric acid, monoanhydride with [[2-(6-amino-9h-purin-9-yl)ethoxy]methyl]phosphonic acid
  • ema
  • n-(2-diphosphorylphosphonylmethoxyethyl)-adenine
  • pmea-dp
  • pmeapp
CAS Number(s)
  • 129532-77-0
InChIKey MELHEUHXJKQZNC-UHFFFAOYSA-N
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