5'-O-{[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy](Hydroxy)Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C19H25N6O8P
IUPAC Name 4-[(2s)-2-amino-3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-propyl]benzene-2,6-diid-1-olate
Molecular Mass 496.411 g·mol−1
Heat of Formation -1402.8 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 539.29 Å 3
Surface Area 453.1 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-5'-adenylic acid, mono(2-amino-3-(4-hydroxyphenyl)propyl) ester
  • [(2s)-2-amino-3-(4-hydroxyphenyl)propyl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2s)-2-amino-3-(4-hydroxyphenyl)propyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-3-(4-hydroxyphenyl)propyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-3-(4-hydroxyphenyl)propyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • adenylyl-tyrosine
  • tyrosinyl-5'-amp
  • tyrosyl adenylate
CAS Number(s)
  • 6372-08-3
InChIKey JJLCVHBFTXDJMM-KFAHYOAQSA-N
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