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8 (S),15 (S) -DiHETE (Z, E, Z, E)

CAT: 0024-sc-200415Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-200415Size:50 µg
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CAS Number
80234-65-7

Chemical Information

8,15-Dihete

8,15-DiHETE is a dihydroxyicosatetraenoic acid.

CAS Number80234-65-7
PubChem CID53480358
IUPAC Name(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
Molecular FormulaC20H32O4
Molecular Weight336.5
XLogP3.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity421
SMILES
CCCCCC(/C=C/C=C\C=C\C(C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+
InChIKey
NNPWRKSGORGTIM-RCDCWWQHSA-N
Chemical Structure
2D Structure
2D structure of 8,15-Dihete
CAS: 80234-65-7
CID: 53480358
Formula: C20H32O4
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass336.23005950
Monoisotopic Mass336.23005950
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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