Structure Database (LMSD)

Common Name
Isopentacosanoic acid
Systematic Name
23-methyl-tetracosanoic acid
Synonyms
LM ID
LMFA01020023
Status
Active
Exact Mass
Calculate m/z
382.38108
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)
MLLNAEIUHLSUPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCC(C)C

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 456.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.92
Molar Refractivity 119.43

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Created at
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Updated at
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