Structure database (LMSD)

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LM IDLMFA07010007
Common Namehexadecyl tricosanoate
Systematic Namehexadecyl tricosanoate
SynonymsWE(16:0/23:0)
Exact Mass
578.6002 (neutral)    Calculate m/z:
FormulaC39H78O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID42607329
InChIKeyKVPNEQOFBDJTSL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-
39(40)41-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
SMILESC(CCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds37
 van der Waals
Molecular Volume
698.20Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP14.51Molar
Refractivity
184.39