CAS 147126-63-4
:1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(2S*,5S*),2β,5α]]-
Description:
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, with the CAS number 147126-63-4, is a chemical compound characterized by its unique oxathiolane ring structure, which incorporates sulfur and oxygen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a cyclohexyl ester moiety that enhances its hydrophobic characteristics. The presence of a hydroxyl group indicates potential for hydrogen bonding, which can influence its solubility and reactivity. The stereochemistry is specified by the [1R-[1α(2S*,5S*),2β,5α]] notation, indicating specific spatial arrangements of its atoms that can affect its biological activity and interactions. This compound may exhibit interesting pharmacological properties due to its structural complexity, making it a candidate for further research in medicinal chemistry. Overall, its unique combination of functional groups and stereochemistry suggests potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C14H24O4S
InChI:InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12+,14+/m1/s1
InChI key:InChIKey=KXKDZLRTIFHOHW-MOWSAHLDSA-N
SMILES:C(C)(C)[C@H]1[C@H](OC(=O)[C@H]2O[C@H](O)CS2)C[C@H](C)CC1
Synonyms:- 1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(2S*,5S*),2β,5α]]-
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