Structure Database (LMSD)
Common Name
Sorbitan oleate
Systematic Name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl (9E)-octadec-9-enoate
Synonyms
LM ID
LMFA07011018
Formula
Exact Mass
Calculate m/z
428.31379
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Sorbitan oleate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
NWGKJDSIEKMTRX-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9+
SMILES (Click to copy)
O(C(CCCCCCC/C=C/CCCCCCCC)=O)CC(C1OCC(O)C1O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
458.86
Topological Polar Surface Area
98.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.76
Molar Refractivity
121.20
Admin
Created at
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Updated at
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