AG002IP7

2068-80-6 | (2S)-2-amino-4-[({[(3S)-3-amino-3-carboxypropanoyl]oxy}magnesio)oxy]-4-oxobutanoic acid

AG002IP7

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CAS Number	2068-80-6
Catalog Number	AG002IP7(AGN-PC-0QWAH5)
Chemical Name	(2S)-2-amino-4-[({[(3S)-3-amino-3-carboxypropanoyl]oxy}magnesio)oxy]-4-oxobutanoic acid
IUPAC Name	magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate
InChI	InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
InChI Key	RXMQCXCANMAVIO-CEOVSRFSSA-L
MDL Number	MFCD26941291
Molecular Formula	C8H12MgN2O8
Molecular Weight	288.4945
SMILES	O=C([O-])C[C@H](N)C(O)=O.O=C([O-])C[C@H](N)C(O)=O.[Mg+2]
Synonyms	(+-)-Aspartic Acid, (R,S)-Aspartic Acid, Ammonium Aspartate, Aspartate, Aspartate Magnesium Hydrochloride, Aspartate, Ammonium, Aspartate, Calcium, Aspartate, Dipotassium, Aspartate, Disodium, Aspartate, Magnesium, Aspartate, Monopotassium, Aspartate, Monosodium, Aspartate, Potassium, Aspartate, Sodium, Aspartic Acid, Aspartic Acid, Ammonium Salt, Aspartic Acid, Calcium Salt, Aspartic Acid, Dipotassium Salt, Aspartic Acid, Disodium Salt, Aspartic Acid, Hydrobromide, Aspartic Acid, Hydrochloride, Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate, Aspartic Acid, Magnesium (2:1) Salt, Aspartic Acid, Magnesium-Potassium (2:1:2) Salt, Aspartic Acid, Monopotassium Salt, Aspartic Acid, Monosodium Salt, Aspartic Acid, Potassium Salt, Aspartic Acid, Sodium Salt, Calcium Aspartate, Dipotassium Aspartate, Disodium Aspartate, L Aspartate, L Aspartic Acid, L-Aspartate, L-Aspartic Acid, Magnesiocard, Magnesium Aspartate, Mg-5-Longoral, Monopotassium Aspartate, Monosodium Aspartate, Potassium Aspartate, Sodium Aspartate, 2068-80-6, Magnesium dihydrogen di-L-aspartate, Magnesium aspartate, Magnesium (S)-3-amino-3-carboxypropanoate, L-Aspartic acid magnesium salt, L-Aspartic acid hemimagnesium salt dihydrate, Monomagnesium di-L-aspartate, Magnesium L-aspartate salt, AK126751, 215533-00-9, 18962-61-3, AC1L3P3G, KSC493A7N, Magnesium L-aspartate (JAN), CTK3J3076, ZX-AFC003155, AKOS022185485, AN-50341, RT-001236, ST24047518, D02026, magnesium (3S)-3-amino-4-hydroxy-4-oxobutanoate, J-012232, magnesium (3S)-3-amino-4-hydroxy-4-oxo-butanoate, Magnefar, Asmag, H-Asp-OH.Mg, Magnesium L-aspartate, Magnesium hydroaspartate, Magnesium aspartate anhydrous, Aspartic acid, magnesium salt, C8H10MgN2O8.2H, UNII-082H981FMA, C4H7NO4.1/2Mg, Magnesium-L-Aspartate Dihydrate, Aspartic acid, magnesium salt, L-, C4-H7-N-O4.1/2Mg, CID92912, C8-H10-Mg-N2-O8.2H, EINECS 218-191-6, EINECS 242-703-7, L-Aspartic acid, magnesium salt (2:1), Magnesium (S)-2-amino-3-carboxypropanoate, Aspartic acid, magnesium salt (2:1), L-, Dihydrogen bis[L-aspartato(2-)-N,O1]magnesate(2-), Magnesium di[(S)-2-aminohydrogeno-butane-1,4-dioate], Ascorbic acid, monoester with phosphoric acid, magnesium salt (2:3), Magnesate(2-), bis(L-aspartato(2-)-N,O1)-, dihydrogen, (T-4)-, Magnesate(2-), bis[L-aspartato(2-)-N,O1]-, dihydrogen, (T-4)-, Magnesate(2-), bis[L-aspartato(2-)-.kappa.N,.kappa.O1]-, dihydrogen, (T-4)-,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	288.044g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	288.495g/mol
Monoisotopic Mass	288.044g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	207A^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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number