Structure database (LMSD)

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LM IDLMFA07010009
Common Namehexadecyl hexacosanoate
Systematic Namehexadecyl hexacosanoate
SynonymsWE(16:0/26:0)
Exact Mass
620.6471 (neutral)    Calculate m/z:
FormulaC42H84O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID13908831
InChIKeyIIWLDEGUWUNAAK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-
36-38-40-42(43)44-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
SMILESC(CCCCCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
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