5'-O-[Acetoxy(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C12H16N5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] acetate
Molecular Mass 389.258 g·mol−1
Heat of Formation -1513.3 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 394.16 Å 3
Surface Area 343.78 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-acetylphosphoadenosine
  • 5'-adenylic acid, monoanhydride with acetic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] ethanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] acetate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] acetate
  • acetic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • acetic acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • acetyl adenylate
  • acetyl amp
  • acetyladenylate
CAS Number(s)
  • 13015-87-7
InChIKey UBPVOHPZRZIJHM-WOUKDFQISA-N
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