Cas no 87042-40-8 (4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)-)

4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)- structure
87042-40-8 structure
Product Name:4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)-
CAS No:87042-40-8
MF:C22H32O3
MW:344.487687110901
CID:720806
PubChem ID:11566378
Update Time:2024-10-26

4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)- Chemical and Physical Properties

Names and Identifiers

    • 4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)-
    • (+/-) 14-HDOHE
    • 14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
    • 14-HYDROXY DOCOSAHEXAENOIC ACID
    • (+/-)14-HYDROXY-4Z,7Z,10Z,12E,16Z,19Z-DOCOSAHEXAENOIC ACID
    • (14-HDHA
    • 4,7,10,12,16,19-Docosahexaenoic acid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)-
    • LMFA04000030
    • (.+/-.)-14-Hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
    • 87042-40-8
    • 14-hydroxy-4(Z),7(Z),10(Z),12(E),16(Z),19(Z)-docosahexaenoic acid
    • (+/-)14-HDHA
    • HY-130239A
    • 14-HDoHE
    • (.+/-.)14-HDoHE
    • AKOS040754669
    • NS00096546
    • (??)14-HDHA
    • Q27140045
    • (+/-)14-HDoHE
    • ( inverted exclamation markA)14-HDHA
    • (A+/-)14-HDHA
    • CS-0105933
    • (+/-)-14-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
    • DTXSID40840523
    • (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic Acid
    • (+/-)-14-HDoHE
    • CHEBI:72647
    • SCHEMBL15529571
    • Inchi: 1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+
    • InChI Key: ZNEBXONKCYFJAF-BGKMTWLOSA-N
    • SMILES: C(O)(=O)CC/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\CC

Computed Properties

  • Exact Mass: 344.23500
  • Monoisotopic Mass: 344.23514488g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 14
  • Complexity: 493
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 0.995±0.06 g/cm3(Predicted)
  • Boiling Point: 510.0±50.0 °C(Predicted)
  • Solubility: 0.1 M Na2CO3:2 mg/mL; DMF:可混溶; DMSO:可混溶;乙醇:可混溶; PBS(pH 7.2):0.8 mg/mL
  • PSA: 57.53000
  • LogP: 5.51970
  • pka: 4.58±0.10(Predicted)

4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)- Security Information

  • Storage Condition:Store at -20°C

4,7,10,12,16,19-Docosahexaenoicacid, 14-hydroxy-, (4Z,7Z,10Z,12E,16Z,19Z)- Pricemore >>

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