Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000456
Common NameHeptacosanol (W)
Systematic NameHeptacosan-1-ol
Synonyms-
Exact Mass
396.4331 (neutral)    Calculate m/z:
FormulaC27H56O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID74822
InChIKeyULCZGKYHRYJXAU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24
-25-26-27-28/h28H,2-27H2,1H3
SMILESC(CCCCCCCCCCCCCCC)CCCCCCCCCCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
484.45Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP10.04Molar
Refractivity
128.67