AG003PQJ

71607-32-4 | (2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate

AG003PQJ

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CAS Number	71607-32-4
Catalog Number	AG003PQJ(AGN-PC-0TZ0FK)
Chemical Name	(2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate
IUPAC Name	(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;hydrate
InChI	InChI=1S/C20H18O8.H2O/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);1H2/t15-,16-;/m1./s1
InChI Key	FOTRUJUPLHRVNU-QNBGGDODSA-N
MDL Number	MFCD00064440
Molecular Formula	C20H20O9
Molecular Weight	404.3674
SMILES	O=C([C@@H]([C@H](C(O)=O)OC(C1=CC=C(C=C1)C)=O)OC(C2=CC=C(C=C2)C)=O)O.[H]O[H]
Synonyms	(2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate, 71607-32-4, (-)-Di-p-toluoyl-L-tartaric acid, 32634-66-5, Di-p-toluoyl-D-tartaric acid monohydrate, 71607-31-3, (-)-Di-p-toluoyl-L-tartaric acid, 97%, MFCD00064440, d-dtta h2o, l-dtta h2o, PubChem6045, PubChem7913, PubChem7914, SCHEMBL3859934, KS-00000UUE, ANW-53859, di-p-toluoyl-l-tartaric acid hydrate, Di-P-Toluoyl-D-TartaricAcidmonohydrat, AKOS016842298, AC-3429, AM81408, FS-3921, AK-94865, AX8022354, TC-142604, ST24020265, l-(-)-di-p-toluoyl-tartaric acid monohydrate, A837258, W-104517, (2R,3R)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid hydrate, (2R,3R)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid hydrate, Di-p-Toluoyl-L-tartaric acid monohydrate, AN-1439, CB10410, (2R,3R)-2,3-bis(4-methylbenzoyloxy)butanedioic acid hydrate, (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate, Di-p-toluoyl-L-tartaric acid monohydrate, 99% - 100G 100g, (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid hydrate,

Complexity	533
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	404.110732g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	404.4g/mol
Monoisotopic Mass	404.110732g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	128Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number