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OPC-8:0

CAT: 0013-GTR19279462-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279462-01Size:10 mg
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Description
OPC-8:0 is a nucleoside metabolite.
CAS Number
204135-86-4
Smiles
C (CCCCCCC (O) =O) [C@@H]1[C@H] (C/C=C\CC) C (=O) CC1
Molecular Formula
C18H30O3
Molecular Weight
294.44
Notes
For research use only.

Chemical Information

(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid

8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid is an 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid that has 1S,2S-configuration. It has a role as a plant metabolite. It is a conjugate acid of an 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate.

CAS Number204135-86-4
PubChem CID5280729
IUPAC Name8-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid
Molecular FormulaC18H30O3
Molecular Weight294.4
XLogP4.7
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count21
Formal Charge0
Complexity346
SMILES
CC/C=C\C[C@H]1[C@H](CCC1=O)CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
InChIKey
BZXZFDKIRZBJEP-JMTMCXQRSA-N
Chemical Structure
2D Structure
2D structure of (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
CAS: 204135-86-4
CID: 5280729
Formula: C18H30O3
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass294.21949481
Monoisotopic Mass294.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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