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89614-44-8 | 5,8,10,14-Eicosatetraenoicacid, 12,20-dihydroxy-, (5Z,8Z,10E,12S,14Z)-
CAS No: 89614-44-8 Catalog No: AG003XDG MDL No:
Product Description
Catalog Number:
AG003XDG
Chemical Name:
5,8,10,14-Eicosatetraenoicacid, 12,20-dihydroxy-, (5Z,8Z,10E,12S,14Z)-
CAS Number:
89614-44-8
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)
InChI Key:
NUPDGIJXOAHJRW-UHFFFAOYSA-N
SMILES:
OCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
4
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Arachidonic acid metabolism by peripheral blood cells in psoriasis. | The British journal of dermatology 19860501 |
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