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136696-10-1 | 6,8,10,14-Eicosatetraenoic acid, 5-hydroxy-12-oxo-, (5S,6Z,8E,10E,14Z)-
CAS No: 136696-10-1 Catalog No: AG00128K MDL No:MFCD00065854
Product Description
Catalog Number:
AG00128K
Chemical Name:
6,8,10,14-Eicosatetraenoic acid, 5-hydroxy-12-oxo-, (5S,6Z,8E,10E,14Z)-
CAS Number:
136696-10-1
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
MDL Number:
MFCD00065854
IUPAC Name:
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChI Key:
SJVWVCVZWMJXOK-NOJHDUNKSA-N
SMILES:
CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@H](CCCC(=O)O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
4
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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