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Eicosapentaenoyl Chloride

CAT: 0013-GTR19265908-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265908-01Size:50 mg
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Description
Eicosapentaenoyl Chloride (Eicosapentaenoic acid Chloride; EPA Chloride) is a derivative of eicosapentaenoic acid. It has been utilized in the synthesis of fatty acid conjugates to improve the lipophilicity and cellular permeability of bioactive compounds such as (–) -epigallocatechin gallate and salicylic acid.
CAS Number
98770-65-1
Field of Research
Metabolism Research
Smiles
C (=C\C/C=C\C/C=C\C/C=C\CC) \C/C=C\CCCC (Cl) =O
Molecular Formula
C20H29ClO
Molecular Weight
320.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
CAS Number98770-65-1
PubChem CID58160533
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
Molecular FormulaC20H29ClO
Molecular Weight320.9
XLogP6.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count22
Formal Charge0
Complexity400
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
InChI
InChI=1S/C20H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
MPMQIVKVFWGFFE-JLNKQSITSA-N
Chemical Structure
2D Structure
2D structure of (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
CAS: 98770-65-1
CID: 58160533
Formula: C20H29ClO
MW: 320.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.9
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass320.1906932
Monoisotopic Mass320.1906932
Topological Polar Surface Area17.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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