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117332-99-7 | 7,11,13,16,19-Docosapentaenoic acid, 10-hydroxy-, (7Z,10R,11E,13Z,16Z,19Z)-
CAS No: 117332-99-7 Catalog No: AG000E4V MDL No:
Product Description
Catalog Number:
AG000E4V
Chemical Name:
7,11,13,16,19-Docosapentaenoic acid, 10-hydroxy-, (7Z,10R,11E,13Z,16Z,19Z)-
CAS Number:
117332-99-7
Molecular Formula:
C22H34O3
Molecular Weight:
346.5036
IUPAC Name:
10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
InChI:
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)
InChI Key:
MGUZOUCQDDHSGO-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)O)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.251g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.511g/mol
Monoisotopic Mass:
346.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
5
XLogP3:
5.6
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