Cas no 110744-76-8 (Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI))

Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI) structure
110744-76-8 structure
Product Name:Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI)
CAS No:110744-76-8
MF:C48H91NO9
MW:826.237456560135
CID:208678
Update Time:2024-03-01

Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI)
    • Acanthacerebroside F
    • Tetracosanamide,N-[1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,[1S-[1R*(S*),2S*,3E,9E]]-
    • Tetracosanamide, N-[(1S,2R,3E,9E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-, (2R)- (9CI)
    • Inchi: 1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,34,36,40-46,48,50-55H,3-15,17-23,25-33,35,37-39H2,1-2H3,(H,49,56)/b24-16+,36-34+/t40-,41+,42+,43+,44+,45-,46+,48+/m0/s1
    • InChI Key: FFBHHSOGNXQILS-MCDYBOAQSA-N
    • SMILES: C(N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCC/C=C/CCCCCCC)(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.05±0.1 g/cm3(Predicted)
  • Boiling Point: 926.2±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.89±0.70(Predicted)

Tetracosanamide,N-[(1S,2R,3E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-3,9-heptadecadienyl]-2-hydroxy-,(2R)- (9CI) Related Literature

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