Structure Database (LMSD)
Common Name
11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Systematic Name
11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
Synonyms
- (5Z,9E,14Z)-(11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate
- (5Z,9E,14Z)-(11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
LM ID
LMFA03080012
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic 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)
SGTUOBURCVMACZ-CIQDQOFUSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
SMILES (Click to copy)
C(=C/C(O)C/C=C\CCCC(O)=O)\[C@H]1O[C@H]1C/C=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
366.80
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.26
Molar Refractivity
98.49
Admin
Created at
-
Updated at
-