(2R,3S)-rel-2,3-Bis[(4-methylbenzoyl)oxy]-butanedioic Acid - CAS 1308286-11-4

Catalog:	BB055207
Product Name:	(2R,3S)-rel-2,3-Bis[(4-methylbenzoyl)oxy]-butanedioic Acid
CAS:	1308286-11-4
Synonyms:	(2R, 3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic Acid

Technical Data

IUPAC Name:	(2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Description:	(2R,3S)-rel-2,3-Bis[(4-methylbenzoyl)oxy]-butanedioic Acid functions as a synthetic reagent, used for making crystalline salts of amines. Also, it is used in the study of stereomeric peptoid chiral stationary phases containing different chiral side chains.
Molecular Weight:	386.35
Molecular Formula:	C20H18O8
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
InChI:	InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16+
InChI Key:	CMIBUZBMZCBCAT-IYBDPMFKSA-N

Complexity:	533
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	386.10016753
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	386.10016753
Rotatable Bond Count:	9
Topological Polar Surface Area:	127Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3