Structure Database (LMSD)
Common Name
(4E,6E,d14:2) sphingosine
Systematic Name
tetradecasphinga-4E,6E-dienine
Synonyms
LM ID
LMSP01080007
Formula
Exact Mass
Calculate m/z
241.204179
Sum Composition
Status
Active
3D model of (4E,6E,d14:2) sphingosine
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)
UWJZVNRNKDOZCA-LNFMSFKKSA-N
InChi (Click to copy)
InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/C=C/CCCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
274.06
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
3.00
Molar Refractivity
74.24
Admin
Created at
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Updated at
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