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

Base Information

• Chemical Name: 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-methyladenosine
• CAS No.: 918868-05-0
• Molecular Formula: C20H22N8O4
• ChEMBL ID: CHEMBL219513
• DSSTox Substance ID: DTXSID20582398
• Pharos Ligand ID: J7FRJ3JHWQPZ
• Wikidata: Q82473813

Synonyms:918868-05-0;CHEMBL219513;(2R,3R,4S,5R)-2-(2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-6-(methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-methyladenosine;DTXSID20582398;(2R,3R,4S,5R)-2-[2-(1-benzyl-1H-1,2,3-triazol-4-yl)-6-(methylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;BDBM50199975;2-(1-benzyl-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine

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

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 438.17640121
• Heavy Atom Count: 32
• Complexity: 628

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=NC(=N1)C3=CN(N=N3)CC4=CC=CC=C4)N(C=N2)C5C(C(C(O5)CO)O)O
• Isomeric SMILES: CNC1=C2C(=NC(=N1)C3=CN(N=N3)CC4=CC=CC=C4)N(C=N2)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

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