Cas no 25520-99-4 (D-Gala-beta-heptonsaeure)

D-Gala-beta-heptonsaeure structure
D-Gala-beta-heptonsaeure structure
Product Name:D-Gala-beta-heptonsaeure
CAS No:25520-99-4
MF:C7H14O8
MW:226.181263446808
CID:2000181
PubChem ID:87578
Update Time:2025-04-21

D-Gala-beta-heptonsaeure Chemical and Physical Properties

Names and Identifiers

    • D-Gala-beta-heptonsaeure
    • d-Gala-l-gluco-heptonsaeure
    • d-Gala-l-heptonsaeure
    • D-glycero-L-gluco-heptonic acid
    • D-glycero-L-gluco-Heptonsaeure
    • 25520-99-4
    • SCHEMBL9232096
    • (2R,3S,4R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
    • 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-/m1/s1
    • InChI Key: KWMLJOLKUYYJFJ-DGPNFKTASA-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: 226.06886740Da
  • Monoisotopic Mass: 226.06886740Da
  • 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
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