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Chemical structure of Docosahexaenoic Acid Alkyne

GC40858

Docosahexaenoic Acid Alkyne

Also known as (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaen-21-ynoic acid

Docosahexaenoic acid alkyne is an ω-alkyne derivative of docosahexaenoic acid

ChemicalCAS2692622-57-2MW324.5FormulaC22H28O2
CAS number
2692622-57-2
Molecular weight
324.5
Formula
C22H28O2
Solubility
50mg/mL in DMSO, 50mg/mL in DMF, 50mg/mL in ethanol
InChIKey
XTZUIIMXQHORMY-KUBAVDMBSA-N
Catalogue number
GC40858
Brand
GLPBIO
Computed properties PubChem CID 162420585 · XLogP 5.6 · TPSA 37.3 Ų · H-bond donors 1
XLogP
5.6
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
13
Heavy atoms
24

SMILES C#C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O

Computed descriptors from PubChem (CID 162420585), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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