Cas no 23661-48-5 (Iron,bis(L-histidinato-kN,kN3,kO)- (9CI))

Iron,bis(L-histidinato-kN,kN3,kO)- (9CI) structure
23661-48-5 structure
Product Name:Iron,bis(L-histidinato-kN,kN3,kO)- (9CI)
CAS No:23661-48-5
MF:C12H16FeN6O4
MW:364.138242721558
CID:258461
PubChem ID:152652
Update Time:2025-04-19

Iron,bis(L-histidinato-kN,kN3,kO)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Iron,bis(L-histidinato-kN,kN3,kO)- (9CI)
    • ferrous histidinate
    • Fe(II)-Histidinate
    • SCHEMBL5067274
    • (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;iron(2+)
    • DTXSID10946480
    • Iron, bis(L-histidinato-N,N3,O)-
    • 23661-48-5
    • Iron(2+) bis[2-amino-3-(1H-imidazol-5-yl)propanoate]
    • Inchi: 1S/2C6H9N3O2.Fe/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2/t2*5-;/m00./s1
    • InChI Key: VCSCPMNEABGTIT-MDTVQASCSA-L
    • SMILES: [Fe+2].[O-]C([C@H](CC1=CN=CN1)N)=O.[O-]C([C@H](CC1=CN=CN1)N)=O

Computed Properties

  • Exact Mass: 364.05800
  • Monoisotopic Mass: 364.058239g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 145
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190?2

Experimental Properties

  • PSA: 189.66000
  • LogP: -2.54310
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