Cas no 160669-43-2 (Panclicin C)

Panclicin C structure
Panclicin C structure
Product Name:Panclicin C
CAS No:160669-43-2
MF:C25H45NO5
MW:439.628508329391
CID:187615
Update Time:2024-03-01

Panclicin C Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-formyl-,(1S)-1-[[(2S,3S)-3-(8-methylnonyl)-4-oxo-2-oxetanyl]methyl]octyl ester (9CI)
    • (-)-Panclicin C
    • Glycine,N-formyl-, 1-[[3-(8-methylnonyl)-4-oxo-2-oxetanyl]methyl]octyl ester, [2S-[2a(R*),3b]]-
    • Panclicin C
    • Inchi: 1S/C25H45NO5/c1-4-5-6-8-12-15-21(30-24(28)18-26-19-27)17-23-22(25(29)31-23)16-13-10-7-9-11-14-20(2)3/h19-23H,4-18H2,1-3H3,(H,26,27)/t21-,22-,23-/m0/s1
    • InChI Key: SMEWLQMERHEMJK-VABKMULXSA-N
    • SMILES: O1C([C@@H](CCCCCCCC(C)C)[C@@H]1C[C@H](CCCCCCC)OC(CNC=O)=O)=O

Computed Properties

  • Exact Mass: 439.33
  • Monoisotopic Mass: 439.33
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 20
  • Complexity: 508
  • 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
  • Topological Polar Surface Area: 81.7
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