Structure Database (LMSD)

Common Name
21-methyl-tricosanoic acid
Systematic Name
21-methyl-tricosanoic acid
Synonyms
LM ID
LMFA01020232
Status
Active
Exact Mass
Calculate m/z
368.36543
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)
ZFMBTKXCQZOFGH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(C)CC)(=O)O

References

Other Databases

LIPIDAT ID
1677
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.53
Molar Refractivity 114.81

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Created at
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Updated at
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