Cas no 1338-16-5 (Iron sorbitex)

Iron sorbitex structure
Iron sorbitex structure
Product Name:Iron sorbitex
CAS No:1338-16-5
MF:C12H19FeO13
MW:427.116466760635
CID:181075
PubChem ID:20715017
Update Time:2025-04-19

Iron sorbitex Chemical and Physical Properties

Names and Identifiers

    • Iron sorbitex
    • (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol,2-hydroxypropane-1,2,3-tricarboxylate,iron(3+)
    • Iron sorbitex.
    • IRON(III)SORBITOL
    • IRONCITRATESORBITOL
    • IRON-SORBITAL-CITRICACIDCOMPLEX
    • IRONSORBITOL-CITRICACIDCOMPLEX
    • citric acid -iron -sorbitol
    • NS00083846
    • Iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate--hexitol (1/1/1)
    • Jectofer
    • Citric acid, iron, sorbitol drug combination
    • Iron-sorbitol
    • SCHEMBL60075
    • DTXSID40928274
    • (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)
    • Iron sorbitex [USAN:USP]
    • Yectofer
    • Astra 1572
    • HSDB 1967
    • Iron sorbitol citrate
    • 1338-16-5
    • 62765-90-6
    • Inchi: 1S/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3/p-3/t;3-,4+,5-,6-;/m.1./s1
    • InChI Key: WNDUPUMWHYAJOR-SADXPQEKSA-K
    • SMILES: [Fe+3].O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O.OC(C(=O)[O-])(CC(=O)[O-])CC(=O)[O-]

Computed Properties

  • Exact Mass: 427.017508
  • Monoisotopic Mass: 427.017508
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 315
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 262
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