Cas no 71957-07-8 (Nickel,bis(D-gluconato-O1,O2)- (9CI))

Nickel,bis(D-gluconato-O1,O2)- (9CI) structure
71957-07-8 structure
Product Name:Nickel,bis(D-gluconato-O1,O2)- (9CI)
CAS No:71957-07-8
MF:C12H22NiO14
MW:448.988087177277
CID:578120
PubChem ID:22743844
Update Time:2025-04-19

Nickel,bis(D-gluconato-O1,O2)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Nickel,bis(D-gluconato-O1,O2)- (9CI)
    • Bis(D-gluconato-O1,O2)nickel
    • nickel(2+),(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
    • Nickel gluconate
    • Inchi： 1S/2C6H12O7.Ni/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
    • InChI Key： DVQYNXRSNFYQRW-UHFFFAOYSA-L
    • SMILES： [Ni+2].OC(C(CO)O)C(C(C(=O)[O-])O)O.OC(C(CO)O)C(C(C(=O)[O-])O)O

Computed Properties

  • Exact Mass: 448.036297g/mol
  • Monoisotopic Mass: 448.036297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 165
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 283?2

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