Cas no 32785-93-6 (1-Chloro-1-deoxy-D-fructose)

1-Chloro-1-deoxy-D-fructose structure
1-Chloro-1-deoxy-D-fructose structure
Product Name:1-Chloro-1-deoxy-D-fructose
CAS No:32785-93-6
MF:C6H11ClO5
MW:198.601541757584
CID:293847
PubChem ID:57377242
Update Time:2025-04-19

1-Chloro-1-deoxy-D-fructose Chemical and Physical Properties

Names and Identifiers

    • D-Fructose,1-chloro-1-deoxy-
    • (3S,4R,5R)-1-chloro-3,4,5,6-tetrahydroxyhexan-2-one
    • 1-CHLORO-1-DEOXY-D-FRUCTOSE
    • 1-chloro-D-1-deoxy-fructose
    • SCHEMBL22777823
    • 32785-93-6
    • UNII-LLI7W0B5SZ
    • DTXSID30725370
    • Fructose, 1-chloro-1-deoxy-, D-
    • LLI7W0B5SZ
    • (3S,4R,5R)-1-Chloro-3,4,5,6-tetrahydroxy-hexan-2-one
    • 1-chloro-1-deoxyfructose
    • D-Fructose, 1-chloro-1-deoxy-
    • (3S,4R,5R)-1-Chloro-3,4,5,6-tetrahydroxy-2-hexanone
    • 1-Chloro-1-deoxy-D-fructose
    • Inchi: 1S/C6H11ClO5/c7-1-3(9)5(11)6(12)4(10)2-8/h4-6,8,10-12H,1-2H2/t4-,5-,6-/m1/s1
    • InChI Key: VBGLFNMWEMGFTR-HSUXUTPPSA-N
    • SMILES: ClCC([C@H]([C@@H]([C@@H](CO)O)O)O)=O

Computed Properties

  • Exact Mass: 198.03000
  • Monoisotopic Mass: 198.0295011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 98?2

Experimental Properties

  • Density: 1.560±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 517.6±50.0 °C(Predicted)
  • Solubility: Soluble (130 g/l) (25 o C),
  • PSA: 90.15000
  • LogP: -1.97330
  • pka: 11.77±0.20(Predicted)

1-Chloro-1-deoxy-D-fructose Pricemore >>

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$ 50.00 2022-06-06
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SHENG KE LU SI SHENG WU JI SHU
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