Structure Database (LMSD)

Common Name
Isomontanic acid
Systematic Name
26-methyl-heptacosanoic acid
Synonyms
LM ID
LMFA01020026
Status
Active
Exact Mass
Calculate m/z
424.42803
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)
GCUBDUZUXAQLEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(C)C

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 507.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.09
Molar Refractivity 133.28

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Created at
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Updated at
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