(2R)-Octyl-α-hydroxyglutarate - CAS 1391194-67-4

Catalog:	BB058573
Product Name:	(2R)-Octyl-α-hydroxyglutarate
CAS:	1391194-67-4
Synonyms:	(2R)-2-Hydroxypentanedioic Acid 1-Octyl Ester

Technical Data

IUPAC Name:	(4R)-4-hydroxy-5-octoxy-5-oxopentanoic acid
Description:	(2R)-Octyl-α-hydroxyglutarate is an octyl ester derivative of (2R)-2-Hydroxyglutaric Acid (H942565), a potential inhibitor of glutamate carboxypeptidase. It is used to examine the contribution of D-2HG to the mitochondrial processes of IDH1-mutated cancer cells. This compound is suitable for IDH (isocitrate dehydrogenase) related research.
Molecular Weight:	260.33
Molecular Formula:	C13H24O5
Canonical SMILES:	CCCCCCCCOC(=O)C(CCC(=O)O)O
InChI:	InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)/t11-/m1/s1
InChI Key:	UJZOKTKSGUOCCM-LLVKDONJSA-N
References:	B, Reitzman. et al. J. Biol. Chem., 289, 23318 (2014).

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	260.16237386
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	260.16237386
Rotatable Bond Count:	12
Topological Polar Surface Area:	83.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8