Cas no 75018-23-4 (adenosine, 1-ethyl-, hydroiodide)

adenosine, 1-ethyl-, hydroiodide structure
75018-23-4 structure
Product Name:adenosine, 1-ethyl-, hydroiodide
CAS No:75018-23-4
MF:C12H18IN5O4
MW:423.206894397736
CID:862269
PubChem ID:522570
Update Time:2025-04-19

adenosine, 1-ethyl-, hydroiodide Chemical and Physical Properties

Names and Identifiers

    • adenosine, 1-ethyl-, hydroiodide
    • 2-(1-ethyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol,hydroiodide
    • 1-ethyladenosine hydriodide
    • AC1LAX3E
    • NSC106771
    • NSC-106771
    • DTXSID00335001
    • 75018-23-4
    • Inchi: 1S/C12H17N5O4.HI/c1-2-16-4-15-11-7(10(16)13)14-5-17(11)12-9(20)8(19)6(3-18)21-12;/h4-6,8-9,12-13,18-20H,2-3H2,1H3;1H
    • InChI Key: NLUIUCKJFQBOHU-UHFFFAOYSA-N
    • SMILES: I.O1C(CO)C(C(C1N1C=NC2C(=N)N(CC)C=NC1=2)O)O

Computed Properties

  • Exact Mass: 295.12821
  • Monoisotopic Mass: 423.04035g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 447
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 127.19
  • LogP: -0.55840
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