Structure Database (LMSD)
Common Name
N-stearoyl glycine
Systematic Name
N-octadecanoyl-glycine
Synonyms
- EMA-1
- Elmiric acid
LM ID
LMFA08020077
Formula
Exact Mass
Calculate m/z
341.292994
Sum Composition
Status
Active
3D model of N-stearoyl glycine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
UEYROBDNFIWNST-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCCCC)=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
386.65
Topological Polar Surface Area
66.40
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.73
Molar Refractivity
100.68
Admin
Created at
-
Updated at
-