5'-O-[(2-Acetamidoacetoxy)(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C14H19N6O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoacetate
Molecular Mass 446.309 g·mol−1
Heat of Formation -1732.1 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 456.17 Å 3
Surface Area 375.2 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetamidoacetic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • 2-acetamidoacetic acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoethanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoacetate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-acetamidoacetate
  • ac-gly-amp
  • glycine, n-acetyl-, monoanhydride with 5'-adenylic acid
  • n-acetylglycyladenylate anhydride
CAS Number(s)
  • 41093-67-8
InChIKey YAIVSVDFAJFRIL-FRJWGUMJSA-N
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