N-Methyl-2-[4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl]adenosine

Base Information

• Chemical Name: N-Methyl-2-[4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl]adenosine
• CAS No.: 906670-53-9
• Molecular Formula: C22H26N8O5
• ChEMBL ID: CHEMBL218505
• DSSTox Substance ID: DTXSID50582402
• Pharos Ligand ID: 2XDDRY7QAGQ6
• Wikidata: Q82473818

Synonyms:CHEMBL218505;906670-53-9;DTXSID50582402;BDBM50199966;N-Methyl-2-[4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl]adenosine;N6-methyl-2-[4-(4-propoxyphenyl)-1,2,3-triazol-1-yl]-9-(beta-D-ribofuranosyl)adenine;(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol

Chemical Property of N-Methyl-2-[4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl]adenosine

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 482.20261596
• Heavy Atom Count: 35
• Complexity: 688

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C2=CN(N=N2)C3=NC(=C4C(=N3)N(C=N4)C5C(C(C(O5)CO)O)O)NC
• Isomeric SMILES: CCCOC1=CC=C(C=C1)C2=CN(N=N2)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)NC

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