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71463-44-0

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Basic Information
CAS No.: 71463-44-0
Name: DL-Acetylmethionine magnesium salt
Molecular Structure:
Molecular Structure of 71463-44-0 (DL-Acetylmethionine magnesium salt)
Formula: C14H24MgN2O6S2
Molecular Weight: 404.7863
Synonyms: Magnesium N-acetyl-DL-methionate (1:2);
EINECS: 275-482-0
PSA: 161.40000
LogP: 1.28520
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Specification

The CAS registry number of DL-Acetylmethionine magnesium salt is 71463-44-0. This chemical is also named as Bis(N-Acetyl-DL-methionine) magnesium. Its EINECS registry number is 275-482-0. In addition, its molecular formula is C14H24MgN2O6S2 and molecular weight is 404.79. Its IUPAC name is called magnesium 2-acetamido-4-methylsulfanylbutanoate.

Properties computed from structure about DL-Acetylmethionine magnesium salt are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 8; (4)Tautomer Count: 3; (5)Exact Mass: 404.09262; (6)MonoIsotopic Mass: 404.09262; (7)Topological Polar Surface Area: 189; (8)Heavy Atom Count: 25; (9)Formal Charge: 0; (10)Complexity: 167; (11)Isotope Atom Coun:t 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 2; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].[MgH2]
(2)InChI: InChI=1/2C7H13NO3S.Mg.2H/c2*1-5(9)8-6(7(10)11)3-4-12-2;;;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);;;/p-2/t2*6-;;;/m00.../s1/r2C7H13NO3S.H2Mg/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H2/p-2/t2*6-;/m00./s1
(3)InChIKey: COESTLYYWGCSJW-DBGGXQNKBD