Structure Database (LMSD)

Common Name
(+)-20-methyl-docosanoic acid
Systematic Name
(+)-20-methyl-docosanoic acid
Synonyms
LM ID
LMFA01020020
Status
Active
Exact Mass
Calculate m/z
354.34978
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)
MZRXKFZYUOFQRH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCC(C)CC

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 421.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.14
Molar Refractivity 110.20

Admin

Created at
-
Updated at
-