1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;tetrahydrate

2.1.2 InChI

InChI=1S/2C5H9NO4.Mg.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1

2.1.3 InChI Key

ZWCGDRSVJYJGFY-GYDBBPQESA-L

2.1.4 Canonical SMILES

C(CC(=O)[O-])C(C(=O)O)N.C(CC(=O)[O-])C(C(=O)O)N.O.O.O.O.[Mg+2]

2.1.5 Isomeric SMILES

C(CC(=O)[O-])[C@@H](C(=O)O)N.C(CC(=O)[O-])[C@@H](C(=O)O)N.O.O.O.O.[Mg+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Magnesium L-glutamate Tetrahydrate

2. 18543-68-5

3. Magnesium (s)-4-amino-4-carboxybutanoate Tetrahydrate

4. L-glutamic Acid Hemimagnesium Salt Tetrahydrate, >=98.0% (nt)

2.3 Create Date

2013-05-17

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₄MgN₂O₁₂
Molecular Weight	388.61 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	10
Exact Mass	388.1179659 g/mol
Monoisotopic Mass	388.1179659 g/mol
Topological Polar Surface Area	211 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	7

MAGNESIUM L-GLUTAMATE TETRAHYDRATE