Cas no 101843-94-1 (1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)-)

1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)- structure
101843-94-1 structure
Product Name:1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)-
CAS No:101843-94-1
MF:C20H36N4O5
MW:412.523645401001
CID:213565
PubChem ID:127986
Update Time:2025-04-19

1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)-
    • 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-yl]-1,2,4-triaz ole-3-carboxamide
    • 1-(2,3,5-tri-O-butyl-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
    • tributylribavirin
    • DTXSID40144270
    • 101843-94-1
    • 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
    • TB-Ribavirin
    • Inchi： 1S/C20H36N4O5/c1-4-7-10-26-13-15-16(27-11-8-5-2)17(28-12-9-6-3)20(29-15)24-14-22-19(23-24)18(21)25/h14-17,20H,4-13H2,1-3H3,(H2,21,25)/t15-,16-,17-,20-/m1/s1
    • InChI Key： PHGTXFGCUSQWBU-WOCWXWTJSA-N
    • SMILES： O1[C@H]([C@@H]([C@@H]([C@H]1COCCCC)OCCCC)OCCCC)N1C=NC(C(N)=O)=N1

Computed Properties

  • Exact Mass: 412.26878
  • Monoisotopic Mass: 412.269
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 15
  • Complexity: 470
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 564°Cat760mmHg
  • Flash Point: 294.9°C
  • Refractive Index: 1.554
  • PSA: 110.72
  • LogP: 3.16200

1H-1,2,4-Triazole-3-carboxamide,1-(2,3,5-tri-O-butyl-b-D-ribofuranosyl)- Related Literature

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