Structure Database (LMSD)

Common Name
DL-11-hydroxy stearic acid
Systematic Name
11-hydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000129
Formula
Exact Mass
Calculate m/z
300.266445
Sum Composition
Status
Active

Classification

String Representations

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

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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Updated at
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