Cas no 14552-49-9 (Ferrate(2-),bis[L-aspartato(2-)-kN,kO1,kO4]-, dihydrogen (9CI))

Ferrate(2-),bis[L-aspartato(2-)-kN,kO1,kO4]-, dihydrogen (9CI) structure
14552-49-9 structure
Product Name:Ferrate(2-),bis[L-aspartato(2-)-kN,kO1,kO4]-, dihydrogen (9CI)
CAS No:14552-49-9
MF:C8H12FeN2O8
MW:320.034483909607
CID:162319
PubChem ID:71586983
Update Time:2025-04-19

Ferrate(2-),bis[L-aspartato(2-)-kN,kO1,kO4]-, dihydrogen (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ferrate(2-),bis[L-aspartato(2-)-kN,kO1,kO4]-, dihydrogen (9CI)
    • Dihydrogen bis(L-aspartato(2-)-N,O1,O4)ferrate(2-)
    • (2S)-2-aminobutanedioate,hydron,iron(2+)
    • OC59CUE479
    • UNII-OC59CUE479
    • DTXSID00163088
    • FERRATE(2-), BIS(L-ASPARTATO(2-)-.KAPPA.N,.KAPPA.O1,.KAPPA.O4)-, HYDROGEN (1:2)
    • 14552-49-9
    • EINECS 238-598-2
    • Ferrous diaspartate
    • Inchi: 1S/2C4H7NO4.Fe/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: AQXUAVREDHKIBI-CEOVSRFSSA-L
    • SMILES: [Fe+2].[O-]C([C@H](CC(=O)[O-])N)=O.[O-]C([C@H](CC(=O)[O-])N)=O.[H+].[H+]

Computed Properties

  • Exact Mass: 2.01566
  • Monoisotopic Mass: 319.994301g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 122
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 213?2

Experimental Properties

  • PSA: 0
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