Cas no 82139-35-3 (D-gluconic acid)

D-gluconic  acid structure
D-gluconic acid structure
Product Name:D-gluconic acid
CAS No:82139-35-3
MF:C12H22O14Zn
MW:455.703682422638
CID:1805561
PubChem ID:158040
Update Time:2025-04-21

D-gluconic acid Chemical and Physical Properties

Names and Identifiers

    • D-gluconic acid
    • zinc,2,3,4,5,6-pentahydroxyhexanoate
    • 82139-35-3
    • DA-68842
    • zinc (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
    • WHMDKBIGKVEYHS-UHFFFAOYSA-L
    • D-Gluconic acid zinc (II) salt
    • zinc(2+) digluconate
    • zinc;2,3,4,5,6-pentahydroxyhexanoate
    • Zinc, bis(D-gluconato-.kappa.O1,.kappa.O2)-, (T-4)-
    • Zinc dihexonate
    • DTXSID001002491
    • Gluconic acid zinc (II) salt
    • Inchi: 1S/2C6H12O7.Zn/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: WHMDKBIGKVEYHS-UHFFFAOYSA-L
    • SMILES: [Zn+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: 454.030097g/mol
  • Monoisotopic Mass: 454.030097g/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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