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1268720-66-6 | 4,8,10,12,16,19-Docosahexaenoic acid, 7,14-dihydroxy-, (4Z,7S,8E,10E,12Z,14S,16Z,19Z)-
CAS No: 1268720-66-6 Catalog No: AG000TED MDL No:MFCD18428008
Product Description
Catalog Number:
AG000TED
Chemical Name:
4,8,10,12,16,19-Docosahexaenoic acid, 7,14-dihydroxy-, (4Z,7S,8E,10E,12Z,14S,16Z,19Z)-
CAS Number:
1268720-66-6
Molecular Formula:
C22H32O4
Molecular Weight:
360.4871
MDL Number:
MFCD18428008
IUPAC Name:
(7S,14R)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
InChI:
InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChI Key:
HLHYXXBCQOUTGK-NHCUHLMSSA-N
SMILES:
CC/C=C\C/C=C\C[C@@H](/C=C\C=C\C=C\[C@H](C/C=C\CCC(=O)O)O)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
4
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