Structure Database (LMSD)

Common Name
Hexacosanedioic acid
Systematic Name
Hexacosanedioic acid
Synonyms
LM ID
LMFA01170040
Status
Active
Exact Mass
Calculate m/z
426.37091
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)
JJWZFUFNJNGKAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H50O4/c27-25(28)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h1-24H2,(H,27,28)(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
4251
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 488.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 8.52
Molar Refractivity 126.08

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Created at
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Updated at
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