Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010012
Common NameHexacosyl-palmitate
Systematic Namehexacosyl hexadecanoate
SynonymsWE(26:0/16:0)
Exact Mass
620.6471 (neutral)    Calculate m/z:
FormulaC42H84O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
AbbrevWE 42:0
PubChem CID13908812
InChIKeyBAIZLGVGMIENLK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
Click to highlight InChI
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
750.10Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP15.68Molar
Refractivity
198.24