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8 (R),15 (S) -DiHETE

CAT: 0024-sc-200425Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-200425Size:50 µg
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CAS Number
80234-67-9

Chemical Information

(8R,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CAS Number80234-67-9
PubChem CID6610244
IUPAC Name(8R,15S)-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
CCCCC[C@@H](C=CC=CC=C[C@@H](CC=CCCCC(=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)/t18-,19-/m0/s1
InChIKey
NNPWRKSGORGTIM-OALUTQOASA-N
Chemical Structure
2D Structure
2D structure of (8R,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CAS: 80234-67-9
CID: 6610244
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count4
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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