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11 (S) -HEDE

CAT: 0013-GTR19232723-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232723-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This product is the (S) -enantiomer of 11-HEDE, isolated via chromatographic separation. While no specific biological activity is currently reported in the literature, it serves as a useful chiral reference standard or inert control compound for in vitro biochemical and metabolic studies.
CAS Number
330800-90-3
Smiles
[C@H] (CCCCCCCCCC (O) =O) (/C=C/C=C\CCCCC) O
Molecular Formula
C20H36O3
Molecular Weight
324.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11S-Hede

11S-HEDE is an icosanoid.

CAS Number330800-90-3
PubChem CID5282704
IUPAC Name(11S,12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
Molecular FormulaC20H36O3
Molecular Weight324.5
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
CCCCC/C=C\C=C\[C@H](CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m1/s1
InChIKey
HDMIRVFIVOGVIC-HVLYWLSYSA-N
Chemical Structure
2D Structure
2D structure of 11S-Hede
CAS: 330800-90-3
CID: 5282704
Formula: C20H36O3
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass324.26644501
Monoisotopic Mass324.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-220627A15 (R) -HEDE
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