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116477-53-3 | 5,8,11,14-Eicosatetraenoic acid, 17,18-dihydroxy-
CAS No: 116477-53-3 Catalog No: AG000CLE MDL No:MFCD08062201
Product Description
Catalog Number:
AG000CLE
Chemical Name:
5,8,11,14-Eicosatetraenoic acid, 17,18-dihydroxy-
CAS Number:
116477-53-3
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
MDL Number:
MFCD08062201
IUPAC Name:
(17S,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/t18-,19+/m1/s1
InChI Key:
XYDVGNAQQFWZEF-MOPGFXCFSA-N
SMILES:
CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
3.8
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