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
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
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
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Updated at
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