Cas no 23167-96-6 (D-gluco-Heptonic acid,potassium salt, (2x)- (9CI))

D-gluco-Heptonic acid,potassium salt, (2x)- (9CI) structure
23167-96-6 structure
Product Name:D-gluco-Heptonic acid,potassium salt, (2x)- (9CI)
CAS No:23167-96-6
MF:C7H14KO8
MW:265.279564380646
CID:274122
PubChem ID:3084394
Update Time:2025-04-19

D-gluco-Heptonic acid,potassium salt, (2x)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-gluco-Heptonic acid,potassium salt, (2x)- (9CI)
    • (2.xi.)-D-Gluco-heptonic acid, potassium salt
    • L-glycero-L-gulo-heptonic acid, monopotassium salt
    • EINECS 245-473-6
    • 23167-96-6
    • NS00123016
    • Inchi: 1S/C7H14O8.K/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/t2-,3-,4+,5-,6-;/m0./s1
    • InChI Key: ORUCCVLWOQSRMC-SMESVBAVSA-N
    • SMILES: [K+].O[C@@H]([C@@H]([C@@H](C(=O)O)O)O)[C@H]([C@H](CO)O)O

Computed Properties

  • Exact Mass: 265.033
  • Monoisotopic Mass: 265.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 207
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 159A^2

Experimental Properties

  • Boiling Point: 727.8°Cat760mmHg
  • Flash Point: 407.9°C
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