Structure Database (LMSD)
Common Name
Stearoyllactic acid
Systematic Name
2-(octadecanoyloxy)propanoic acid
Synonyms
LM ID
LMFA07011021
Formula
Exact Mass
Calculate m/z
356.29266
Sum Composition
Status
Curated
3D model of Stearoyllactic acid
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)
QMGGUIASDZZMHS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24)
SMILES (Click to copy)
O=C(C(OC(=O)CCCCCCCCCCCCCCCCC)C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
401.74
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.55
Molar Refractivity
103.25
Admin
Created at
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Updated at
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