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
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
Other Databases
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
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Updated at
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