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12-Hydroxy-5,8,14-Eicosatrienoic Acid

CAT: 1596-AR-P32105-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAS Number
117346-20-0
Molecular Formula
C20H34O3
Molecular Weight
322.49
API Name
Polyunsaturated fatty acid (pufa)

Chemical Information

12-Hydroxy-5,8,14-eicosatrienoic acid

12R-HETrE is a hydroxy fatty acid and a polyunsaturated fatty acid.

CAS Number117346-20-0
PubChem CID5283149
IUPAC Name(5Z,8Z,12R,14Z)-12-hydroxyicosa-5,8,14-trienoic acid
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP5.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity356
SMILES
CCCCC/C=C\C[C@@H](CC/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m0/s1
InChIKey
RFAKHEWADWLSJX-ZIQRGBBDSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxy-5,8,14-eicosatrienoic acid
CAS: 117346-20-0
CID: 5283149
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS394193-0112(S)-hydroxy-8(Z),10(E),14(Z)-eicosatrienoic acid
XCA7101012 (S) -Hydroxy-8 (Z),10 (E),14 (Z) -eicosatrienoic acid
MBS394188-0111,12-dihydroxy-5(Z),8(Z),14(Z)-eicosatrienoic acid
MBS394111-0111,(12)-epoxy-5(Z),8(Z),14(Z)-eicosatrienoic acid
MBS392165-015 (Z),8 (Z),14 (Z)-Eicosatrienoic Acid
TRC-E477930-5MGcis-8,11,14-Eicosatrienoic Acid
MBS57988105(Z),8(Z),14(Z)-Eicosatrienoic Acid
GTR19190218-015 (Z),8 (Z),14 (Z) -Eicosatrienoic Acid
HY-W348503-01(5Z,8Z,14Z) -5,8,14-Eicosatrienoic acid
HY-1659603-Hydroxy-8 (Z),11 (Z),14 (Z) -eicosatrienoic acid

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