Structure Database (LMSD)
Common Name
C16 Sphingosine
Systematic Name
Hexadecasphing-4E-enine
Synonyms
- Hexadecasphingosine
LM ID
LMSP01040008
Formula
Exact Mass
Calculate m/z
271.251129
Sum Composition
Status
Active
3D model of C16 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)
BTUSGZZCQZACPT-YYZTVXDQSA-N
InChi (Click to copy)
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
311.30
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.00
Molar Refractivity
83.57
Admin
Created at
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Updated at
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