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CS-W001157 4
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N-((2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide

  • CAS No. 50730-05-7

  • Cat. No. CS-0536119
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

N-((2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide|CS-0536119

Structure of 50730-05-7

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General Information

  • CAS No. 50730-05-7
  • Cat. No. CS-0536119
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈ClNO₆
  • Molecular Weight 331.75
  • Synonym(s) N-[(2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • SMILES CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)Cl)CO)O)O

Synthesis

  • Route1
    • β-D-Glucopyranoside, 4-chlorophenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate|CS-0999960
      50729-97-0
    • ~%
    • N-((2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide|CS-0536119
      50730-05-7

    References

    • Roy, Rene; Tropper, Francois D. Canadian Journal of Chemistry, 1991 , vol. 69, # 5 p. 817 - 821
  • Route2

    References

    • Macauley, Matthew S.; Stubbs, Keith A.; Vocadlo, David J. Journal of the American Chemical Society, 2005 , vol. 127, # 49 p. 17202 - 17203
  • Route3
    • null|null
      106-48-9
    • ~%
    • N-((2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide|CS-0536119
      50730-05-7

    References

    • Macauley, Matthew S.; Stubbs, Keith A.; Vocadlo, David J. Journal of the American Chemical Society, 2005 , vol. 127, # 49 p. 17202 - 17203

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   108.25
  • LogP   -0.3375
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   4

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