5'-O-{Hydroxy[3-(4-Methylphenoxy)-3-Oxopropoxy]Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C20H24N5O9P
IUPAC Name 2-(1,3-benzodioxol-2-yl)ethynyl [5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-3,4,5-trioxo-pent-1-ynyl] phosphate
Molecular Mass 509.406 g·mol−1
Heat of Formation -1554.3 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 552.5 Å 3
Surface Area 478.64 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methylphenyl) 3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxypropanoate
  • (4-methylphenyl) 3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypropanoate
  • (4-methylphenyl) 3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypropanoate
  • 3-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxypropanoic acid (4-methylphenyl) ester
  • 3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypropionic acid (4-methylphenyl) ester
  • 4-tolyloxycarbonyl-2-ethyl adenosine monophosphate
  • 4-tolyloxycarbonyl-2-ethyl amp
  • 5'-adenylic acid, mono(3-(4-methylphenoxy)-3-oxopropyl) ester
  • rp 53801
  • rp-53801
CAS Number(s)
  • 125882-88-4
InChIKey WWPDJOVDMBVAGM-AEVYOOLXSA-N
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