Structure Database (LMSD)
Common Name
12R,13S-epoxy-6E,9Z-octadecadienoic acid
Systematic Name
12R,13S-epoxy-6E,9Z-octadecadienoic acid
Synonyms
- 12(R),13(S)-12(13)-epoxy-6E,9Z-octadecadienoic acid
- (6E,9Z)-11-((2R,3S)-3-pentyloxiran-2-yl)undeca-6,9-dienoic acid
- 12,13-Epoxy-E,Z-6,9-octadecadienoic acid
3D model of 12R,13S-epoxy-6E,9Z-octadecadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
TVHXKPMFCYEQTM-DZDYOVOBSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4+,11-8-/t16-,17+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCC/C=C/C/C=C\C[C@H]1O[C@H]1CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.05
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.44
Molar Refractivity
87.44
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Created at
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Updated at
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