Cas no 13410-34-9 (Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester)

Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester structure
13410-34-9 structure
Product Name:Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester
CAS No:13410-34-9
MF:C25H46O7
MW:458.628549098969
CID:119557
PubChem ID:57348008
Update Time:2025-04-18

Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester
    • 4-(2-hydroxy-3-octadecanoyloxypropoxy)-4-oxobutanoic acid
    • Butanedioic acid, mono[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl]ester
    • Butanedioic acid,mono[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl]ester
    • DTXSID20721543
    • SCHEMBL13539372
    • 4-[2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]-4-OXOBUTANOIC ACID
    • 13410-34-9
    • JZRZUXISDDGKIS-UHFFFAOYSA-N
    • Inchi： 1S/C25H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)31-20-22(26)21-32-25(30)19-18-23(27)28/h22,26H,2-21H2,1H3,(H,27,28)
    • InChI Key： JZRZUXISDDGKIS-UHFFFAOYSA-N
    • SMILES： O(CC(COC(CCC(=O)O)=O)O)C(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 574.3354
  • Monoisotopic Mass: 458.32435380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 25
  • Complexity: 479
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.2
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 162.73

Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester Related Literature

13410-34-9 (Butanedioic acid,1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester) Related Products

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