Structure Database (LMSD)
Common Name
5-hydroxy,3E-sphingosine
Systematic Name
2R-amino-3E-octadecene-1,5-diol
Synonyms
LM ID
LMSP01080004
Formula
Exact Mass
Calculate m/z
299.282429
Sum Composition
Status
Active
3D model of 5-hydroxy,3E-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)
ZQYNBVSXIQZMEO-TVSYHJGPSA-N
InChi (Click to copy)
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)15-14-17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18?/m1/s1
SMILES (Click to copy)
C([C@H](N)/C=C/C(O)CCCCCCCCCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
345.90
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.78
Molar Refractivity
92.80
Admin
Created at
-
Updated at
-