5'-Adenylic acid, 2-(pentylthio)-

Base Information

• Chemical Name: 5'-Adenylic acid, 2-(pentylthio)-
• CAS No.: 58576-75-3
• Molecular Formula: C15H24N5O7PS
• DSSTox Substance ID: DTXSID30433625
• Nikkaji Number: J762.853F
• Wikidata: Q82247818

Synonyms:58576-75-3;((2R,3S,4R,5R)-5-(6-Amino-2-(pentylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate;5'-Adenylic acid, 2-(pentylthio)-;DTXSID30433625;2-(Pentylthio)adenosine 5'-phosphoric acid

Chemical Property of 5'-Adenylic acid, 2-(pentylthio)-

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 449.11340629
• Heavy Atom Count: 29
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
• Isomeric SMILES: CCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

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