Cas no 31966-51-5 (Adenosine,8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI))

Adenosine,8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI) structure
31966-51-5 structure
Product Name:Adenosine,8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI)
CAS No:31966-51-5
MF:C12H16N5O6PS
MW:389.324101448059
CID:311069
PubChem ID:3080765
Update Time:2025-04-19

Adenosine,8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI)
    • [(2S,4R,5R)-5-(6-amino-8-ethenylsulfanylpurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • DTXSID50185795
    • 8-Thioethyladenosine-3',5'-cyclic monophosphoric acid
    • 8-Tecamp
    • 31966-51-5
    • Adenosine, 8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate)
    • Inchi： 1S/C12H16N5O6PS/c1-2-25-12-16-8-9(13)14-5-15-10(8)17(12)11-7(18)3-6(23-11)4-22-24(19,20)21/h2,5-7,11,18H,1,3-4H2,(H2,13,14,15)(H2,19,20,21)/t6-,7+,11+/m0/s1
    • InChI Key： CQRZNHZGBBIRLR-MVKOHCKWSA-N
    • SMILES： S(C=C)C1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H](C[C@@H](COP(=O)(O)O)O1)O

Computed Properties

  • Exact Mass: 389.05608
  • Monoisotopic Mass: 389.05589142g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 540
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 191?2

Experimental Properties

  • PSA: 165.84

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(CAS:31966-51-5)Adenosine, 8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI)
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Quantity:10g
Purity:97%
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NewCan Biotech Limited
(CAS:31966-51-5)Adenosine, 8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI,9CI)
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Purity:97%
Quantity:10g
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