Structure Database (LMSD)
Common Name
5R,6R-epoxy-7-eicosynoic acid
Systematic Name
5R,6R-epoxy-eicos-7-ynoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DRLUZIPKHGLGFT-RTBURBONSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h18-19H,2-12,14,16-17H2,1H3,(H,21,22)/t18-,19-/m1/s1
SMILES (Click to copy)
C([C@H]1O[C@@H]1C#CCCCCCCCCCCCC)CCC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
360.65
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.90
Molar Refractivity
95.41
Admin
Created at
-
Updated at
-