2-[4-(2-Hydroxyethyl)-1H-1,2,3-triazol-1-yl]-N-methyladenosine

Base Information

• Chemical Name: 2-[4-(2-Hydroxyethyl)-1H-1,2,3-triazol-1-yl]-N-methyladenosine
• CAS No.: 906670-54-0
• Molecular Formula: C15H20N8O5
• ChEMBL ID: CHEMBL219600
• DSSTox Substance ID: DTXSID30582400
• Pharos Ligand ID: MJFVH6SQWRZX
• Wikidata: Q82473816

Synonyms:906670-54-0;CHEMBL219600;(2R,3R,4S,5R)-2-(2-(4-(2-Hydroxyethyl)-1H-1,2,3-triazol-1-yl)-6-(methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;DTXSID30582400;(2R,3R,4S,5R)-2-{2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol;2-[4-(2-Hydroxyethyl)-1H-1,2,3-triazol-1-yl]-N-methyladenosine;BDBM50199978;2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-N6-methyl-9-(beta-D-ribofuranosyl)adenine

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

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 392.15566577
• Heavy Atom Count: 28
• Complexity: 535

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)N3C=C(N=N3)CCO)N(C=N2)C4C(C(C(O4)CO)O)O
• Isomeric SMILES: CNC1=C2C(=NC(=N1)N3C=C(N=N3)CCO)N(C=N2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

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