2-(4-Butyl-1H-1,2,3-triazol-1-yl)-N-methyladenosine

Base Information

• Chemical Name: 2-(4-Butyl-1H-1,2,3-triazol-1-yl)-N-methyladenosine
• CAS No.: 906670-50-6
• Molecular Formula: C17H24N8O4
• ChEMBL ID: CHEMBL219056
• DSSTox Substance ID: DTXSID40582395
• Pharos Ligand ID: 8BKD6CWPQHDU
• Wikidata: Q82473809

Synonyms:906670-50-6;CHEMBL219056;(2R,3R,4S,5R)-2-(2-(4-Butyl-1H-1,2,3-triazol-1-yl)-6-(methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;2-(4-Butyl-1H-1,2,3-triazol-1-yl)-N-methyladenosine;DTXSID40582395;(2R,3R,4S,5R)-2-[2-(4-butyl-1H-1,2,3-triazol-1-yl)-6-(methylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;BDBM50199974;2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)-adenine

Chemical Property of 2-(4-Butyl-1H-1,2,3-triazol-1-yl)-N-methyladenosine

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 404.19205128
• Heavy Atom Count: 29
• Complexity: 548

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CN(N=N1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)NC
• Isomeric SMILES: CCCCC1=CN(N=N1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NC

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