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2-(Octylsulfanyl)adenosine

Base Information
  • Chemical Name:2-(Octylsulfanyl)adenosine
  • CAS No.:50823-28-4
  • Molecular Formula:C18H29N5O4S
  • Molecular Weight:
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30574623
  • Mol file:50823-28-4.mol
2-(Octylsulfanyl)adenosine

Synonyms:50823-28-4;(2R,3R,4S,5R)-2-(6-Amino-2-(octylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;2-(Octylsulfanyl)adenosine;DTXSID30574623

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Chemical Property of 2-(Octylsulfanyl)adenosine
Chemical Property:
  • XLogP3:3.2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:10
  • Exact Mass:411.19402560
  • Heavy Atom Count:28
  • Complexity:479
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCCCCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
  • Isomeric SMILES:CCCCCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
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