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90906-41-5 | 4,7,10,13,16,18-Docosahexaenoicacid, 20-hydroxy-, (4Z,7Z,10Z,13Z,16Z,18E)-
CAS No: 90906-41-5 Catalog No: AG006GOI MDL No:MFCD05865079
Product Description
Catalog Number:
AG006GOI
Chemical Name:
4,7,10,13,16,18-Docosahexaenoicacid, 20-hydroxy-, (4Z,7Z,10Z,13Z,16Z,18E)-
CAS Number:
90906-41-5
Molecular Formula:
C22H32O3
Molecular Weight:
344.4877
MDL Number:
MFCD05865079
IUPAC Name:
(4Z,7Z,10Z,13Z,16Z,18E)-20-hydroxydocosa-4,7,10,13,16,18-hexaenoic acid
InChI:
InChI=1S/C22H32O3/c1-2-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)25/h3-4,7-10,13-17,19,21,23H,2,5-6,11-12,18,20H2,1H3,(H,24,25)/b4-3-,9-7-,10-8-,15-13-,16-14-,19-17+
InChI Key:
YUZXOJOCNGKDNI-LFVREGEGSA-N
SMILES:
CCC(/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
6
Exact Mass:
344.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.495g/mol
Monoisotopic Mass:
344.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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