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CS-W001157 4
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(5R,6R,6aR)-5-((R)-1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl benzoate

  • CAS No. 31795-13-8

  • Cat. No. CS-0535902
  • Purity≥98%
  • MDL No.None

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

(5R,6R,6aR)-5-((R)-1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl benzoate|CS-0535902

Structure of 31795-13-8

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General Information

  • CAS No. 31795-13-8
  • Cat. No. CS-0535902
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₀O₇
  • Molecular Weight 324.33
  • Synonym(s) 3-O-benzoyl-1,2-O-isopropylidene-D-allofuranose
  • SMILES O[C@H](CO)[C@@H](O1)[C@@H](OC(C2=CC=CC=C2)=O)[C@@H](O3)C1OC3(C)C

Synthesis

  • Route1
    • 3-O-Benzoyl-1,2: 5,6-bis(di-O-isopropylidene)-alpha-D-galactofuranose|CS-0694428
      29474-73-5
    • ~90%
    • (5R,6R,6aR)-5-((R)-1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl benzoate|CS-0535902
      31795-13-8

    References

    • Alais; David Carbohydrate Research, 1992 , vol. 230, # 1 p. 79 - 87
  • Route2

    References

    • Kralikova, Sarka; Budesinsky, Milos; Tomeckova, Ivana; Rosenberg, Ivan Tetrahedron, 2006 , vol. 62, # 41 p. 9742 - 9750
  • Route3
    • null|null
      98-88-4
    • ~%
    • (5R,6R,6aR)-5-((R)-1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl benzoate|CS-0535902
      31795-13-8

    References

    • Zheng, Xiaoping; Nair, Vasu Nucleosides and Nucleotides, 1999 , vol. 18, # 9 p. 1961 - 1976

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

Quality Control

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Computational Chemistry Data

  • TPSA   94.45
  • LogP   0.4416
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   4

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