Structure Database (LMSD)
Common Name
Glyceryl lactooleate
Systematic Name
2-{3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}propanoic acid
Synonyms
LM ID
LMFA07010900
Formula
Exact Mass
Calculate m/z
428.31379
Sum Composition
Status
Active
3D model of Glyceryl lactooleate
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)
KOLAFJFESDNVMY-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OC(COC(C)C(O)=O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
468.58
Topological Polar Surface Area
93.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
6.56
Molar Refractivity
121.47
Admin
Created at
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Updated at
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