Structure Database (LMSD)

Common Name
18-hydroxy stearic acid
Systematic Name
18-hydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000136
Formula
Exact Mass
Calculate m/z
300.266445
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VLHZUYUOEGBBJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h19H,1-17H2,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCO)CC(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 343.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.59
Molar Refractivity 89.08

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Updated at
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