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-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide
Molecular Mass 443.456 g·mol−1
Heat of Formation -556.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 509.34 Å 3
Surface Area 392.11 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.40 ± 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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