Structure Database (LMSD)
Common Name
N,N-dimethylsphingosine
Systematic Name
N,N-dimethylsphing-4-enine
Synonyms
LM ID
LMSP01070001
Formula
Exact Mass
Calculate m/z
327.313729
Sum Composition
Status
Active
3D model of N,N-dimethylsphingosine
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)
YRXOQXUDKDCXME-YIVRLKKSSA-N
InChi (Click to copy)
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N(C)C)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
380.50
Topological Polar Surface Area
43.70
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.38
Molar Refractivity
102.30
Admin
Created at
-
Updated at
-