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SQ 26655

CAT: 0013-GTR19196441-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196441-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SQ 26655
CAS Number
82337-14-2
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (/C=C\CCCC (O) =O) [C@@H]1[C@@H] (/C=C/[C@H] (CCCCC) O) [C@@]2 (O[C@]1 (CC2) [H]) [H]
Molecular Formula
C21H34O4
Molecular Weight
350.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CAS Number82337-14-2
PubChem CID5311385
IUPAC Name(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular FormulaC21H34O4
Molecular Weight350.5
XLogP4.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity457
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@H]2CC[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O2)O
InChI
InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20+/m0/s1
InChIKey
IWSCITFBDCQRGG-BWDSMMMSSA-N
Chemical Structure
2D Structure
2D structure of (Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CAS: 82337-14-2
CID: 5311385
Formula: C21H34O4
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass350.24570956
Monoisotopic Mass350.24570956
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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