Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140003
Common Name6-[5]-ladderane-hexanoic acid
Systematic Name6-[5]-ladderane-hexanoic acid
Synonyms-
Exact Mass
274.1933 (neutral)    Calculate m/z:
FormulaC18H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID10333573
InChIKeyFWADMOZVPHIBNO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H26O2/c19-13(20)5-3-1-2-4-9-8-12-14(9)18-16-11-7-6-10(11)15(16)17(12
)18/h9-12,14-18H,1-8H2,(H,19,20)
SMILESC1C2C3C4C5CC(CCCCCC(=O)O)C5C4C3C2C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings5Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
273.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.81Molar
Refractivity
75.98