Cas no 131810-94-1 (Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI))

Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI) structure
131810-94-1 structure
Product Name:Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI)
CAS No:131810-94-1
MF:C18H34MgN2O11
MW:478.774366855621
CID:207900
PubChem ID:3076532
Update Time:2025-04-19

Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI)
    • magnesium,3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate,hydrate
    • Magnesium, bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato-N,O)-, monohydrate, (T-4-(R),(R))-
    • 131810-94-1
    • Inchi： 1S/2C9H17NO5.Mg.H2O/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/q;;+2;/p-2
    • InChI Key： YGZXDYIVNNNODL-UHFFFAOYSA-L
    • SMILES： [Mg+2].OC(C(NCCC(=O)[O-])=O)C(C)(C)CO.OC(C(NCCC(=O)[O-])=O)C(C)(C)CO.O

Computed Properties

  • Exact Mass: 478.20132
  • Monoisotopic Mass: 478.201
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 10
  • Complexity: 233
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 220?2

Experimental Properties

  • Boiling Point: 551.5°Cat760mmHg
  • Flash Point: 287.3°C
  • PSA: 250.88

Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI) Related Literature

131810-94-1 (Magnesium,bis[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alaninato-N,O]-, monohydrate, [T-4-(R),(R)]- (9CI)) Related Products

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