Structure Database (LMSD)
Common Name
N-stearoyl-O-phosphocholineserine
Systematic Name
N-octadecanoyl-O-phosphocholine-L-serine
Synonyms
3D model of N-stearoyl-O-phosphocholineserine
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)
NQXMEDBXQWPVCH-DEOSSOPVSA-N
InChi (Click to copy)
InChI=1S/C26H53N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)27-24(26(30)31)23-35-36(32,33)34-22-21-28(2,3)4/h24H,5-23H2,1-4H3,(H2-,27,29,30,31,32,33)/t24-/m0/s1
SMILES (Click to copy)
[C@@H](C(=O)O)(COP(OCC[N+](C)(C)C)([O-])=O)NC(CCCCCCCCCCCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
Aromatic Rings
Rotatable Bonds
25
Van der Waals Molecular Volume
556.44
Topological Polar Surface Area
124.99
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
9
logP
6.17
Molar Refractivity
143.50
Admin
Created at
7th Nov 2022
Updated at
7th Nov 2022