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CAS 127676-66-8

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D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate

Description:
D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate, with the CAS number 127676-66-8, is a chemical compound characterized by its unique structural features, including a hexononitrile backbone and two benzoate ester groups. This compound is a derivative of a sugar-like structure, specifically an anhydro sugar, which indicates the presence of a cyclic form that lacks a hydroxyl group at the 2 and 5 positions. The presence of nitrile groups suggests potential reactivity and applications in organic synthesis, particularly in the formation of various derivatives. The benzoate moieties enhance the compound's lipophilicity, potentially influencing its solubility and interaction with biological systems. Such compounds may exhibit interesting biological activities, making them of interest in medicinal chemistry and drug development. However, specific properties such as melting point, solubility, and reactivity would require empirical data for precise characterization. Overall, this compound represents a fascinating intersection of carbohydrate chemistry and synthetic organic chemistry.
Formula:C20H17NO5
InChI:InChI=1S/C20H17NO5/c21-12-16-11-17(26-20(23)15-9-5-2-6-10-15)18(25-16)13-24-19(22)14-7-3-1-4-8-14/h1-10,16-18H,11,13H2/t16-,17-,18+/m0/s1
InChI key:InChIKey=SNYLJLLCAXQRJF-OKZBNKHCSA-N
SMILES:O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@H](COC(=O)C3=CC=CC=C3)O[C@H](C#N)C2
Synonyms:
  • D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate
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