AG003RHE

5990-63-6 | (2R,3S)-2,3-Dihydroxysuccinic acid hydrate

AG003RHE

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CAS Number	5990-63-6
Catalog Number	AG003RHE(AGN-PC-0STZCW)
Chemical Name	(2R,3S)-2,3-Dihydroxysuccinic acid hydrate
IUPAC Name	(2R,3S)-2,3-dihydroxybutanedioic acid;hydrate
InChI	InChI=1S/C4H6O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2/t1-,2+;
InChI Key	UUDLQDCYDSATCH-NUGIMEKKSA-N
MDL Number	MFCD00150742
Molecular Formula	C4H8O7
Molecular Weight	168.1021
SMILES	O[C@H]([C@@H](C(O)=O)O)C(O)=O.[H]O[H]
Synonyms	5990-63-6, meso-Tartaric acid monohydrate, (2R,3S)-2,3-Dihydroxysuccinic acid hydrate, Mesotartaric Acid Monohydrate, Butanedioic acid, 2,3-dihydroxy-, monohydrate, (2R,3S)-rel-, C4H6O6.H2O, MesotartaricAcidMonohydrate, DTXSID4050433, SCHEMBL16341979, CTK8B1995, UUDLQDCYDSATCH-NUGIMEKKSA-N, KS-000015GQ, 7228AF, ANW-33393, AKOS027327453, TC-122138, I14-59439, mesotartaric acid, 2,3-Dihydroxybutanedioic acid, Tartaric acid, monohydrate, meso-, Butanedioic acid, 2,3-dihydroxy-, monohydrate, (R*,S*)-,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	168.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	168.101g/mol
Monoisotopic Mass	168.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number