Structure Database (LMSD)
Common Name
N,N-dimethyl-Safingol
Systematic Name
2S-dimethylaminooctadecane-1,3R-diol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of N,N-dimethyl-Safingol
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)
BYBHBTCYJMUUDZ-PMACEKPBSA-N
InChi (Click to copy)
InChI=1S/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h19-20,22-23H,4-18H2,1-3H3/t19-,20-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N(C)C)[C@@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
383.14
Topological Polar Surface Area
43.70
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.61
Molar Refractivity
102.39
Admin
Created at
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Updated at
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