Structure Database (LMSD)

Common Name
N,N-dimethyl-Safingol
Systematic Name
2S-dimethylaminooctadecane-1,3R-diol
Synonyms
LM ID
LMSP01080056
Formula
C20H43NO2
Exact Mass
Calculate m/z
329.329379
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

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

CHEBI ID
137846
PubChem CID
42608375

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

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Created at
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Updated at
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