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122540-33-4

122540-33-4 | 2,4,8,10,16,18-Tetracosahexaenoic acid, 7,13,15,23-tetrahydroxy-, (2Z,4E,7S,8E,10Z,13S,15R,16E,18E,23R)-

CAS No: 122540-33-4 Catalog No: AG0017FJ MDL No:

Product Description

Catalog Number:
AG0017FJ
Chemical Name:
2,4,8,10,16,18-Tetracosahexaenoic acid, 7,13,15,23-tetrahydroxy-, (2Z,4E,7S,8E,10Z,13S,15R,16E,18E,23R)-
CAS Number:
122540-33-4
Molecular Formula:
C24H36O6
Molecular Weight:
420.5390
IUPAC Name:
7,13,15,23-tetrahydroxytetracosa-2,4,8,10,16,18-hexaenoic acid
InChI:
InChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,8-12,14,16,18,20-23,25-28H,3,7,13,15,17,19H2,1H3,(H,29,30)
InChI Key:
CZSPLEVIVZNWLV-UHFFFAOYSA-N
SMILES:
O[C@H](C[C@H](/C=C/C=C/CCC[C@H](O)C)O)C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O)O

Properties

Complexity:
615  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.251g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
420.546g/mol
Monoisotopic Mass:
420.251g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
6  
XLogP3:
2.9  

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