Cas no 128389-74-2 (1,3-dierucin)

1,3-dierucin structure
1,3-dierucin structure
Product Name:1,3-dierucin
CAS No:128389-74-2
MF:C47H88O5
MW:733.198636054993
CID:897779
PubChem ID:16219247
Update Time:2025-04-19

1,3-dierucin Chemical and Physical Properties

Names and Identifiers

    • 1,3-dierucin
    • 1,3-dierucin (C22:1,(cis)-13)
    • DELTA 13 TRANS DIBRASSIDIN 1-3 ISOMER
    • 1,3-DI[CIS-13-DOCOSENOYL]-RACGLYCEROL
    • Q27290749
    • 13-Docosenoic acid, 2-hydroxy-1,3-propanediyl ester, (13Z,13'Z)-
    • 13-Docosenoic acid, 1,1'-(2-hydroxy-1,3-propanediyl) ester, (13Z,13'Z)-
    • 2-Hydroxypropane-1,3-diyl (13Z,13'Z)di-docos-13-enoate
    • [3-[(Z)-docos-13-enoyl]oxy-2-hydroxypropyl] (Z)-docos-13-enoate
    • U68A80CA2E
    • UNII-U68A80CA2E
    • DAG(22:1w9/0:0/22:1w9)
    • DAG(22:1/0:0/22:1)
    • SCHEMBL2734440
    • DG(22:1n9/0:0/22:1n9)
    • Diacylglycerol(22:1/0:0/22:1)
    • 128389-74-2
    • DAG(22:1n9/0:0/22:1n9)
    • 1,3-Glycerol dierucate
    • 1-Erucoyl-3-erucoyl-sn-glycerol
    • Diacylglycerol(22:1n9/0:0/22:1n9)
    • Diacylglycerol(22:1w9/0:0/22:1w9)
    • DTXSID50585130
    • 1-(13Z-Docosenoyl)-3-(13Z-docosenoyl)-sn-glycerol
    • DG(22:1/0:0/22:1)
    • DG(22:1w9/0:0/22:1w9)
    • Inchi： 1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-
    • InChI Key： CBTMTZFHKUDGSX-CLFAGFIQSA-N
    • SMILES： O(CC(COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)O)C(CCCCCCCCCCC/C=C\CCCCCCCC)=O

Computed Properties

  • Exact Mass: 732.66354
  • Monoisotopic Mass: 732.66317590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 44
  • Complexity: 727
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 18.7
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 72.83

1,3-dierucin Security Information

  • WGK Germany：3

1,3-dierucin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Larodan
32-2213-7-25mg
1,3-Didocosenoin (13Z)
 128389-74-2 >99%
25mg
 €115.00 2025-03-07
A2B Chem LLC
AE40507-25mg
1,3-DIERUCIN
 128389-74-2 >99%
25mg
 $334.00 2024-04-20

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