Structure Database (LMSD)
Common Name
methyl 5S,6R-epoxy-7-eicosynoate
Systematic Name
methyl 5S,6R-epoxy-eicos-7-ynoate
Synonyms
3D model of methyl 5S,6R-epoxy-7-eicosynoate
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)
GFJBVECADOXVQF-UXHICEINSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h19-20H,3-13,15,17-18H2,1-2H3/t19-,20+/m1/s1
SMILES (Click to copy)
C([C@@H]1O[C@@H]1C#CCCCCCCCCCCCC)CCC(OC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
377.95
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.98
Molar Refractivity
99.79
Admin
Created at
-
Updated at
4th May 2021