3'-Deoxy-3'-[(O-Methyl-L-Tyrosyl)Amino]Adenosine

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Formula C20H25N7O5
IUPAC Name (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide
Molecular Mass 443.456 g·mol−1
Heat of Formation -557.3 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 502.34 Å 3
Surface Area 434.15 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]-3-(4-methoxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide
InChIKey FEUXXQHFLIJGOX-GJIZYBQMSA-N
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