5'-O-(N-Acetyl-L-Phenylalanyl)Adenosine

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Properties Simple | Detailed

Formula C21H24N6O6
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2s)-2-(acetylamino)-3-phenyl-propanoate
Molecular Mass 456.452 g·mol−1
Heat of Formation -752.4 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 515.61 Å 3
Surface Area 432.16 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-phenyl-propionic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • (2s)-2-acetamido-3-phenylpropanoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • 2'-o-(n-acetylphenylalanyl)adenosine
  • 2-ac-phe-ado
  • 3'-o-(n-acetylphenylalanyl)adenosine
  • 3-ac-phe-ado
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (2s)-2-acetamido-3-phenyl-propanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2s)-2-acetamido-3-phenyl-propanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2s)-2-acetamido-3-phenylpropanoate
  • l-phenylalanine, n-acetyl-, 2'-ester with adenosine
  • l-phenylalanine, n-acetyl-, 3'-ester with adenosine
CAS Number(s)
  • 34996-32-2
  • 34996-45-7
InChIKey VYMMPDQVLYQCQF-SWQDORGXSA-N
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