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115609-68-2 | 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-20-oxo-, (5S,6Z,8E,10E,12R,14Z)-
CAS No: 115609-68-2 Catalog No: AG000G8C MDL No:
Product Description
Catalog Number:
AG000G8C
Chemical Name:
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-20-oxo-, (5S,6Z,8E,10E,12R,14Z)-
CAS Number:
115609-68-2
Molecular Formula:
C20H30O5
Molecular Weight:
350.4492
IUPAC Name:
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChI Key:
LVLQYGYNBVIONY-PSPARDEHSA-N
SMILES:
O=CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
4
Exact Mass:
350.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.455g/mol
Monoisotopic Mass:
350.209g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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