3'-Deoxy-N,N-Dimethyl-3'-(L-Tyrosylamino)Adenosine

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Properties Simple | Detailed

Formula C21H27N7O5
IUPAC Name (2s)-2-amino-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-oxocyclohexa-2,5-dien-1-yl)propanamide
Molecular Mass 457.483 g·mol−1
Heat of Formation -557.6 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 527.37 Å 3
Surface Area 454.53 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylamino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propionamide
  • 3'-deoxy-n,n-dimethyl-3'-(l-tyrosinamido)adenosine
  • o-demethylpuromycin
CAS Number(s)
  • 21708-87-2
InChIKey NVZJDPXVSWFFJJ-YXDKPKCJSA-N
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