AG008LP6

80822-15-7 | (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate

AG008LP6

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CAS Number	80822-15-7
Catalog Number	AG008LP6(AGN-PC-0OIG86)
Chemical Name	(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate
IUPAC Name	(2S,3S)-2,3-dibenzoyloxybutanedioic acid;hydrate
InChI	InChI=1S/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/m0./s1
InChI Key	DXDIHODZARUBLA-IODNYQNNSA-N
MDL Number	MFCD00063222
Molecular Formula	C18H16O9
Molecular Weight	376.3142
SMILES	O=C(O)[C@@H](OC(C1=CC=CC=C1)=O)[C@H](OC(C2=CC=CC=C2)=O)C(O)=O.[H]O[H]
Synonyms	80822-15-7, (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate, (+)-Dibenzoyl-D-tartaric acid monohydrate, d-dbta, dibenzoyl-d-(+)-tartaric acid monohydrate, MFCD00150722, dibenzoyl-d-tartaric acid monohydrate, o,o'-dibenzoyl d-tartaric acid monohydrate, (+)-2,3-dibenzoyl-d-tartaric acid monohydrate, (2s,3s)-(+)-dibenzoyl-d-tartaric acid monohydrate, (2s,3s)-(+)-o,o'-dibenzoyltartaric acid monohydrate, Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-, C18H16O9, d-dbta h2o, PubChem7154, (+)2,3-dibenzoyl-d-tartaric acid monohydrate, SCHEMBL2859440, KS-00000CZB, DXDIHODZARUBLA-IODNYQNNSA-N, (+)-dibenzoyl-d-tartaric acid h2o, ANW-44710, Dibenzoyl D-tartaric acid monohydrate, AKOS015888114, di-benzoyl-d-tartaric acid monohydrate, dibenzoyl-d-(+)-tartaric acid hydrate, AM81403, RP17704, AK-54016, AS-12428, ( )-Dibenzoyl-D-tartaric acid monohydrate, d-(+)-dibenzoyl tartaric acid monohydrate, (+)-dibenzoyl-d-tartaric acid, monohydrate, AB0011921, AB1007214, AX8022692, TC-133455, FT-0604421, ST24020283, (+)-O,O'-Dibenzoyl-D-tartaricAcidMonohydrate, 22D157, d-(+)-tartaric acid dibenzoyl ester monohydrate, d-tartaric acid 2,3-dibenzoyl ester monohydrate, I01-114, (2s,3s)-2,3-bis-benzoyloxy-succinic acid monohydrate, null, (+)-Dibenzoyl-D-tartaric acid, D-Dibenzoyltartaric acid, Dibenzoyl-D-tartaric acid, (+)-Dibenzoyltartaric acid, dibenzoyl-(-)-tartaric acid, (+)-Dibenzoyl tartaric acid, d-(+)-dibenzoyltartaric acid, (+)-O,O-Dibenzoyltartaric acid, dibenzoyl-d-tartaric acid hydrate, dibenzoyl-l-tartaric acid hydrate, Tartaric acid, dibenzoate, (+)-, -Dibenzoyl-D-tartaricacidmonohydrate, C18H14O8, EINECS 241-097-1, D-(+)-Di-O,O-benzoyltartaric acid, NSC 97424, (2S,3S)-(+)-Dibenzoyltartaric acid, ACN-034318, C18-H14-O8, CB10404, CS-O-30576, CID11667949, 2,3-dibenzoyloxybutanedioic Acid Hydrate, 2,3-Di-O-benzoyl-D-tartaric acid hydrate, (+)-o,o'-dibenzoyl-d-tartaric acid monohydrate, [S-(R*,R*)]-2,3-Bis(benzoyloxy)succinic acid, (+)-Dibenzoyl-D-tartaric acid monohydrate, 99% 25g, Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, Butanedioic acid, 2,3-bis(benzoyloxy)-, [S-(R*,R*)]-, Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-, ( )-Dibenzoyl-D-tartaric acid monohydrate, 98%, ee: 99% - 100G 100g, 17026-42-5,

Complexity	483
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	376.079g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	376.317g/mol
Monoisotopic Mass	376.079g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	128A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280i-P305+P351+P338-P337+P313
UN Code	\N

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