Cas no 7427-68-1 (5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI))
7427-68-1 structure
Product Name:5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI)
CAS No:7427-68-1
MF:C28H48O2
MW:416.679529190063
CID:577449
PubChem ID:6437641
Update Time:2025-04-19
5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI)
- Octyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
- EINECS 231-067-6
- SCHEMBL3660726
- 5,8,11,14-Eicosatetraenoicacid,octyl ester,(all-z)-(9ci)
- octane arachidonate
- 7427-68-1
- NS00047234
- DTXSID301211615
- 5,8,11,14-Eicosatetraenoic acid, octyl ester, (all-Z)-
-
- Inchi： 1S/C28H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(29)30-27-25-23-10-8-6-4-2/h11-12,14-15,17-18,20-21H,3-10,13,16,19,22-27H2,1-2H3/b12-11-,15-14-,18-17-,21-20-
- InChI Key： SNBGYRRBRAGXNX-FORXSXPXSA-N
- SMILES： O(C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CCCCCCCC
Computed Properties
- Exact Mass: 416.36564
- Monoisotopic Mass: 416.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 22
- Complexity: 471
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.889
- Boiling Point: 497.6°C at 760 mmHg
- Flash Point: 87.8°C
- Refractive Index: 1.482
- PSA: 26.3
5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
7427-68-1 (5,8,11,14-Eicosatetraenoicacid, octyl ester, (all-Z)- (9CI)) Related Products
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