Structure Database (LMSD)
Systematic Name
2S-amino-octadeca-4E,6E-diene-1,3R-diol
Synonyms
3D model of
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)
BXFSVOSKIKQECX-WGLIYWIESA-N
InChi (Click to copy)
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h12-15,17-18,20-21H,2-11,16,19H2,1H3/b13-12+,15-14+/t17-,18-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@@]([H])(O)/C=C/C=C/CCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
343.26
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.56
Molar Refractivity
92.71
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Created at
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Updated at
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