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CAS 1105067-92-2

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1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate

Description:
1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate, with the CAS number 1105067-92-2, is a chemical compound characterized by its specific stereochemistry and functional groups. It features a hexanoate backbone, which includes a cyano group (-C≡N) and two hydroxyl groups (-OH) at the 3 and 5 positions, contributing to its reactivity and potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its solubility and interaction with biological membranes. This compound is likely to exhibit properties typical of esters, such as being susceptible to hydrolysis under acidic or basic conditions. Its stereochemical configuration (3S,5S) suggests that it may have specific interactions in biological systems, potentially affecting its pharmacological profile. Overall, this compound's unique structure may make it of interest in medicinal chemistry or as a synthetic intermediate in organic synthesis.
Formula:C11H19NO4
InChI:InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8-9,13-14H,4,6-7H2,1-3H3/t8-,9-/m0/s1
InChI key:InChIKey=NQTYMGFSEOSJKM-IUCAKERBSA-N
SMILES:[C@@H](CC(OC(C)(C)C)=O)(C[C@H](CC#N)O)O
Synonyms:
  • 1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate
  • Hexanoic acid, 6-cyano-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3S,5S)-
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