AG00IGQM

91510-62-2 | D-Galacturonic acid, monohydrate

AG00IGQM

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CAS Number	91510-62-2
Catalog Number	AG00IGQM(AGN-PC-0OMPBV)
Chemical Name	D-Galacturonic acid, monohydrate
IUPAC Name	(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate
InChI	InChI=1S/C6H10O7.H2O/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);1H2/t1-,2+,3+,4-,6?;/m0./s1
InChI Key	BGHPCEJXDOGRGW-KSSASCOMSA-N
MDL Number	MFCD00006618
Molecular Formula	C6H12O8
Molecular Weight	212.1547
SMILES	O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.O
Synonyms	ALPHA-D-GALACTURONIC ACID HYDRATE, 91510-62-2, D-Galacturonic acid monohydrate, 685-73-4 (anhydrous), BIG1005, ZX-AFC000876, KM3022, MFCD00071585, AKOS030504251, API0002191, (2S,3R,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid hydrate, D-(+)-Galacturonic acid monohydrate, >=97.0%, AC1MC4SQ, D-Galacturonic acid, monohydrate, D-(+)-Galacturonic acid monohydrate, ALPHA-D-GALACTURONICACIDHYDRATE, ACN-035265, CID2724373, (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic Acid Hydrate,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	212.053217g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	212.15g/mol
Monoisotopic Mass	212.053217g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	128Ų
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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