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CAY10410

CAT: 0013-GTR19191829-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191829-02Size:1 mg
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Description
CAY10410
CAS Number
596104-94-8
Field of Research
Metabolism Research, Molecular Biology
Smiles
C (\C=C/CCCCC) =C/1\[C@@H] (C/C=C\CCCC (O) =O) CCC1=O
Molecular Formula
C20H30O3
Molecular Weight
318.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Z)-7-[(1R,2E)-2-[(Z)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid

CAY10410 is a prostanoid.

CAS Number596104-94-8
PubChem CID58713917
IUPAC Name(Z)-7-[(1R,2E)-2-[(Z)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
CCCCC/C=C\C=C\1/[C@H](CCC1=O)C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,17H,2-5,8,11-12,14-16H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1
InChIKey
AFBJLDUEEOOVHL-WKELIDJCSA-N
Chemical Structure
2D Structure
2D structure of (Z)-7-[(1R,2E)-2-[(Z)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
CAS: 596104-94-8
CID: 58713917
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
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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