Structure database (LMSD)

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LM IDLMFA01170035
Common NameEicosanedioic acid
Systematic NameEicosanedioic acid
Synonyms-
Exact Mass
342.2770 (neutral)    Calculate m/z:
FormulaC20H38O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID3465
PubChem CID75502
PlantFA ID10247
InChIKeyJJOJFIHJIRWASH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)2
4/h1-18H2,(H,21,22)(H,23,24)
SMILESC(CCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
384.44Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.18Molar
Refractivity
98.38