AG002FCY

191605-10-4 | Butanedioic acid, 2,3-bis[(4-methoxybenzoyl)oxy]-, (2S,3S)-

AG002FCY

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CAS Number	191605-10-4
Catalog Number	AG002FCY(AGN-PC-0O66JI)
Chemical Name	Butanedioic acid, 2,3-bis[(4-methoxybenzoyl)oxy]-, (2S,3S)-
IUPAC Name	(2S,3S)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid
InChI	InChI=1S/C20H18O10/c1-27-13-7-3-11(4-8-13)19(25)29-15(17(21)22)16(18(23)24)30-20(26)12-5-9-14(28-2)10-6-12/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1
InChI Key	KWWCVCFQHGKOMI-HOTGVXAUSA-N
MDL Number	MFCD07368366
Molecular Formula	C20H18O10
Molecular Weight	418.3509
SMILES	O=C(O)[C@H]([C@@H](C(O)=O)OC(C1=CC=C(OC)C=C1)=O)OC(C2=CC=C(OC)C=C2)=O
Synonyms	191605-10-4, (2S,3S)-2,3-Bis((4-methoxybenzoyl)oxy)succinic acid, (+)-Di-p-anisoyl-D-tartaric Acid, (+)-Di-4-Anisoyl-D-tartaric acid, Dibenzoyl-(+)-P-methoxy-D-tartaric acid, Butanedioic acid, 2,3-bis[(4-methoxybenzoyl)oxy]-, (2S,3S)-, (+)-Bis(4-methoxybenzoyl)-D-tartaric Acid, D-DI-P-METHYLOXYPHENYL-TARTARIC ACID, (2S,3S)-2,3-bis(4-methoxybenzoyloxy)succinic acid, 50583-51-2, d-data, (+)-Di-p-anisoyl-D-tartaricAcid, AK-96061, Dibenzoyl-(-)-P-methoxy-L-tartaric acid, PubChem6043, SCHEMBL935315, Jsp003934, KS-00000NRQ, (+)-Di-4-Anisoyl-D-tartaricacid, di-(+)-p-methoxy-d-tartaric acid, ANW-60501, CD-486, MFCD07368366, ZINC21299503, AC-3424, CS-W008144, LS30104, AJ-78272, AN-12990, AS-11927, OR350362, AB0011014, AX8009076, TC-149246, TL8003357, D3490, FT-0602538, ST24034118, M-1042, 605D104, (2S,3S)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid, Di-p-anisoyl-D-tartaric acid, Di-p-anisoyl-L-tartaric acid, C20H18O10, CID9810979, A4227, EC 606-247-6, 2,3-bis[(4-methoxybenzoyl)oxy]butanedioic Acid, (2S,3S)-2,3-Di-(4-methoxybenzoyloxy)butane-1,4-dioic acid,

Complexity	563
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	418.09g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	418.354g/mol
Monoisotopic Mass	418.09g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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