Cas no 12565-60-5 (Manganese, bis[(2x)-D-gluco-heptonato]-)

Manganese, bis[(2x)-D-gluco-heptonato]- structure
12565-60-5 structure
Product Name:Manganese, bis[(2x)-D-gluco-heptonato]-
CAS No:12565-60-5
MF:C7H14O8
MW:226.181263446808
CID:223939
PubChem ID:3084118
Update Time:2025-04-19

Manganese, bis[(2x)-D-gluco-heptonato]- Chemical and Physical Properties

Names and Identifiers

    • Manganese, bis[(2x)-D-gluco-heptonato]-
    • (2S,3S,4S,5S,6S)-2,3,4,5,6,7-Hexahydroxyheptanoic acid
    • 12565-60-5
    • Manganese, bis((2xi)-D-gluco-heptonato)-
    • Manganese, bis((2.xi.)-D-gluco-heptonato)-
    • Manganese alpha-glucoheptonate
    • Inchi: 1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4-,5-,6-/m0/s1
    • InChI Key: KWMLJOLKUYYJFJ-RUTHBDMASA-N
    • SMILES: O[C@H]([C@@H]([C@@H](C(=O)O)O)O)[C@H]([C@H](CO)O)O

Computed Properties

  • Exact Mass: 226.06882
  • Monoisotopic Mass: 226.06886740g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4
  • Topological Polar Surface Area: 159?2

Experimental Properties

  • PSA: 158.68
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