Structure Database (LMSD)

Common Name
DL-3-hydroxy stearic acid
Systematic Name
3-hydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000121
Status
Active
Exact Mass
Calculate m/z
300.266445
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
POMQYTSPMKEQNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(O)(CCCCCCCCCCCCCCC)CC(=O)O

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
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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Created at
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Updated at
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