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Docosahexaenoic Acid methyl ester

CAT: 0931-T19294-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T19294-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2566-90-7
Target
Others
Related Pathways
Others
Purity
0.9827
Bioactivity
Docosahexaenoic Acid methyl ester (all cis-DHA methyl ester) is a methylated docosahexaenoic acid analog that can be inserted into membrane phospholipids without being oxidized or hydrolyzed.
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC
Molecular Formula
C23H34O2
Molecular Weight
342.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Docosahexaenoic acid methyl ester

Docosahexaenoic acid methyl ester is a fatty acid methyl ester.

CAS Number2566-90-7
PubChem CID6421262
IUPAC Namemethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular FormulaC23H34O2
Molecular Weight342.5
XLogP6.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count25
Formal Charge0
Complexity476
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC
InChI
InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey
VCDLWFYODNTQOT-JDPCYWKWSA-N
Chemical Structure
2D Structure
2D structure of Docosahexaenoic acid methyl ester
CAS: 2566-90-7
CID: 6421262
Formula: C23H34O2
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass342.255880323
Monoisotopic Mass342.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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