3'-{[N-(4-Azido-2-Nitrobenzoyl)-O-Methyl-L-Tyrosyl]Amino}-3'-Deoxy-N,N-Dimethyladenosine

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Properties Simple | Detailed

Formula C29H31N11O8
IUPAC Name 4-azido-n-[(1s)-2-[[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-2-nitro-benzamide
Molecular Mass 661.625 g·mol−1
Heat of Formation -316.1 ± 16.7 kJ·mol−1
Dipole Moment 11.41 ± 1.08 D
Volume 734.84 Å 3
Surface Area 589.6 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-azido-n-[(1s)-2-[[(2s,3s,4r,5r)-5-(6-dimethylamino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxoethyl]-2-nitrobenzamide
  • 4-azido-n-[(1s)-2-[[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-2-nitro-benzamide
  • 4-azido-n-[(1s)-2-[[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]amino]-2-keto-1-(4-methoxybenzyl)ethyl]-2-nitro-benzamide
  • 4-azido-n-[(2s)-1-[[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxo-propan-2-yl]-2-nitro-benzamide
  • 4-azido-n-[(2s)-1-[[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-2-nitrobenzamide
  • adenosine, 3'-((2-((4-azido-2-nitrobenzoyl)amino)-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-n,n-dimethyl-, (s)-
  • n-(2-nitro-4-azidobenzoyl)puromycin
CAS Number(s)
  • 73579-23-4
InChIKey UUGPZVWEVTVYRC-OGTWZCNESA-N
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