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115178-97-7 | 6,8,10,14-Eicosatetraenoic acid, 20,20,20-trifluoro-5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS No: 115178-97-7 Catalog No: AG000GD7 MDL No:MFCD00065859
Product Description
Catalog Number:
AG000GD7
Chemical Name:
6,8,10,14-Eicosatetraenoic acid, 20,20,20-trifluoro-5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
CAS Number:
115178-97-7
Molecular Formula:
C20H29F3O4
Molecular Weight:
390.4371
MDL Number:
MFCD00065859
IUPAC Name:
(5S,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
InChI Key:
YKIRCSCMMMEEDI-QAASZIRWSA-N
SMILES:
O[C@H](C/C=C\CCCCC(F)(F)F)/C=C/C=C/C=C\[C@H](CCCC(=O)O)O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
4
Exact Mass:
390.202g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.443g/mol
Monoisotopic Mass:
390.202g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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