Cas no 5128-01-8 (3-pentofuranosyl-3H-imidazo[4,5-b]pyridine)

3-pentofuranosyl-3H-imidazo[4,5-b]pyridine structure
5128-01-8 structure
Product Name:3-pentofuranosyl-3H-imidazo[4,5-b]pyridine
CAS No:5128-01-8
MF:C11H13N3O4
MW:251.238622426987
CID:935080
PubChem ID:263015
Update Time:2025-04-19

3-pentofuranosyl-3H-imidazo[4,5-b]pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-pentofuranosyl-3H-imidazo[4,5-b]pyridine
    • 1-Deazapurine riboside;
    • NSC-97166
    • SCHEMBL23982252
    • 2-(hydroxymethyl)-5-imidazo[5,4-b]pyridin-3-yloxolane-3,4-diol
    • DTXSID10294579
    • 5128-01-8
    • NSC97166
    • SCHEMBL20419156
    • Inchi: 1S/C11H13N3O4/c15-4-7-8(16)9(17)11(18-7)14-5-13-6-2-1-3-12-10(6)14/h1-3,5,7-9,11,15-17H,4H2
    • InChI Key: JVODRKOKQFRWIN-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(C(C1N1C=NC2C=CC=NC1=2)O)O

Computed Properties

  • Exact Mass: 251.09100
  • Monoisotopic Mass: 251.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 306
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.1
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.75
  • Boiling Point: 576.2°C at 760 mmHg
  • Flash Point: 302.3°C
  • Refractive Index: 1.774
  • PSA: 100.63000
  • LogP: -0.95720
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