AG00BFXQ

215533-00-9 | magnesium aspartate dihydrate

AG00BFXQ

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CAS Number	215533-00-9
Catalog Number	AG00BFXQ(AGN-PC-0WG4YO)
Chemical Name	magnesium aspartate dihydrate
IUPAC Name	magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate;dihydrate
InChI	InChI=1S/2C4H7NO4.Mg.2H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;2*1H2/q;;+2;;/p-2/t2*2-;;;/m00.../s1
InChI Key	WLAXHZXYTCHQPJ-PXYKVGKMSA-L
MDL Number	MFCD00215933
Molecular Formula	C8H18MgN2O10
Molecular Weight	326.5409
SMILES	O=C(O)C[C@H](N)C(O)=O.O=C(O)C[C@H](N)C(O)=O.O.O.[Mg+2]
Synonyms	Magnesium l-aspartate dihydrate, 215533-00-9, C8H12MgN2O8.2H2O, 7359AH,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	324.066g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	324.525g/mol
Monoisotopic Mass	324.066g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	209A^2
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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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