Adenosine, 2-(4-hydroxy-1-butynyl)-

Base Information

• Chemical Name: Adenosine, 2-(4-hydroxy-1-butynyl)-
• CAS No.: 99044-58-3
• Molecular Formula: C14H17N5O5
• ChEMBL ID: CHEMBL2113476
• DSSTox Substance ID: DTXSID901295237
• Nikkaji Number: J458.653K

Synonyms:99044-58-3;CHEMBL2113476;(2R,3R,4S,5R)-2-(6-Amino-2-(4-hydroxybut-1-yn-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;Adenosine, 2-(4-hydroxy-1-butynyl)-;SCHEMBL7893176;DTXSID901295237;BDBM50455641

Chemical Property of Adenosine, 2-(4-hydroxy-1-butynyl)-

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 335.12296866
• Heavy Atom Count: 24
• Complexity: 510

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)C#CCCO)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C#CCCO)N

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