Octyl-α-ketoglutarate - CAS 876150-14-0

Catalog:	BB056701
Product Name:	Octyl-α-ketoglutarate
CAS:	876150-14-0
Synonyms:	2-Oxo-pentanedioic Acid 1-Octyl Ester; α-KG Octyl Ester

Technical Data

IUPAC Name:	5-octoxy-4,5-dioxopentanoic acid
Description:	Octyl-α-ketoglutarate is a prolyl hydroxylases substrate which accumulates rapidly in cells with dysfunctional tricarboxylic acid cycle. Octyl-α-ketoglutarate also prevents succinate or fumarate mediated inhibition of prolyl hydroxylases.
Molecular Weight:	258.31
Molecular Formula:	C13H22O5
Canonical SMILES:	CCCCCCCCOC(=O)C(=O)CCC(=O)O
InChI:	InChI=1S/C13H22O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h2-10H2,1H3,(H,15,16)
InChI Key:	QNFIHKFBQFJVKV-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Colourless to Pale Yellow Oil
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	MacKenzie, E.D., et al. Mol. Cell Biol., 27, 3282 (2007).

Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.1467238
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.1467238
Rotatable Bond Count:	12
Topological Polar Surface Area:	80.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8