Structure Database (LMSD)

Common Name
9,10-dimethoxy-13-hydroxy-11-octadecenoic acid
Systematic Name
9,10-dimethoxy-13-hydroxy-11-octadecenoic acid
Synonyms
LM ID
LMFA01080004
Status
Active
Exact Mass
Calculate m/z
358.271925
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)
NOFLXSQXUWLFHC-FOCLMDBBSA-N
InChi (Click to copy)
InChI=1S/C20H38O5/c1-4-5-9-12-17(21)15-16-19(25-3)18(24-2)13-10-7-6-8-11-14-20(22)23/h15-19,21H,4-14H2,1-3H3,(H,22,23)/b16-15+
SMILES (Click to copy)
C(OC)(/C=C/C(O)CCCCC)C(OC)CCCCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 393.23
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.19
Molar Refractivity 102.37

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Created at
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Updated at
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