Structure Database (LMSD)
Common Name
N-stearoyl glutamic acid
Systematic Name
N-octadecanoyl-glutamic acid
Synonyms
LM ID
LMFA08020090
Formula
Exact Mass
Calculate m/z
413.314124
Sum Composition
Status
Active
3D model of N-stearoyl glutamic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ATFFFUXLAJBBDE-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t20-/m0/s1
SMILES (Click to copy)
OC(=O)CC[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
453.49
Topological Polar Surface Area
103.70
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
5.97
Molar Refractivity
116.49
Admin
Created at
-
Updated at
19th Feb 2024