6,9,12,15-Octadecatetraenoic acid - CAS 20290-75-9

Catalog:	BB044235
Product Name:	6,9,12,15-Octadecatetraenoic acid
CAS:	20290-75-9
Synonyms:	Stearidonic acid; Moroctic acid; (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid

Technical Data

IUPAC Name:	(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
Description:	A 18-carbon, ω-3 fatty acid which is a dietary precursor to eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). Stearidonic acid is present in small amounts in seed oils.
Molecular Weight:	276.4137
Molecular Formula:	C18H28O2
Canonical SMILES:	CCC=CCC=CCC=CCC=CCCCCC(=O)O
InChI:	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
InChI Key:	JIWBIWFOSCKQMA-LTKCOYKYSA-N
Boiling Point:	382.5 °C at 760 mmHg
Purity:	98 %
Density:	0.937 g/cm³
Solubility:	0.03717 mg/L at 25 °C (est)
Appearance:	A solution in ethanol
Storage:	-20 °C
LogP:	5.890 (est)

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	4
Exact Mass:	276.208930132
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.208930132
Rotatable Bond Count:	12
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2