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CAS 147126-80-5

:

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Description:
The chemical substance with the name "(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate" and CAS number "147126-80-5" is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a cyclohexyl ring substituted with a methyl and isopropyl group, indicating a branched aliphatic structure. The molecule also contains an oxathiolane ring, which incorporates sulfur and oxygen, contributing to its potential biological activity. The presence of a pyrimidine derivative suggests possible interactions with biological systems, particularly in relation to nucleic acid metabolism or enzyme inhibition. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its specific stereochemistry (1R,2S,5R and 2R,5R configurations) is crucial for its biological activity, as stereoisomers can have significantly different effects in biological systems. Overall, this compound represents a unique structure that may have applications in drug development or therapeutic interventions.
Formula:C18H27N3O4S
InChI:InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15-,17-/m1/s1
InChI key:InChIKey=QMYKWNYBSBURDT-OOKGIHQLSA-N
SMILES:O=C1N(C=CC(N)=N1)[C@@H]2O[C@@H](C(O[C@H]3[C@H](C(C)C)CC[C@@H](C)C3)=O)SC2
Synonyms:
  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(2R*,5R*),2β,5α]]-
  • (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
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