{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 6)"],"submitter":["Fulfer BW"],"pubmed_abstract":["The title compound, C(11)H(23)NO(5)P(+)·I(-), consists of an eight-membered cationic heterocyclic ring in a boat-chair conformation. The ring features a tetra-alkyl-ammonium N and a methyl-phospho-nate P atom. A -CH(2)(CO)OC(2)H(5) ester side chain at the C adjacent to oxygen produces two chiral centers at that substituted C atom and the P atom, both of which were determined to have absolute R,R configurations. A previously determined racemic bromide analog has exactly the same ring but with a -C(15)H(31) side chain. In that structure, both chiral centers show the same relative R/S,R/S configurations, but the ring in the bromide analog is in a boat conformation."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1596"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379206"],"repository":["biostudies-literature"],"pubmed_title":["(2R,4R)-4-(2-Eth-oxy-2-oxoeth-yl)-2,6,6-trimeth-yl-2-oxo-1,3,6,2λ(5)-dioxaza-phospho-can-6-ium iodide."],"pmcid":["PMC3379206"],"pubmed_authors":["Watkins SF","Fronczek FR","Fulfer BW"],"additional_accession":[]},"is_claimable":false,"name":"(2R,4R)-4-(2-Eth-oxy-2-oxoeth-yl)-2,6,6-trimeth-yl-2-oxo-1,3,6,2λ(5)-dioxaza-phospho-can-6-ium iodide.","description":"The title compound, C(11)H(23)NO(5)P(+)·I(-), consists of an eight-membered cationic heterocyclic ring in a boat-chair conformation. The ring features a tetra-alkyl-ammonium N and a methyl-phospho-nate P atom. A -CH(2)(CO)OC(2)H(5) ester side chain at the C adjacent to oxygen produces two chiral centers at that substituted C atom and the P atom, both of which were determined to have absolute R,R configurations. A previously determined racemic bromide analog has exactly the same ring but with a -C(15)H(31) side chain. In that structure, both chiral centers show the same relative R/S,R/S configurations, but the ring in the bromide analog is in a boat conformation.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jun","modification":"2025-04-05T12:59:49.473Z","creation":"2019-03-27T00:54:42Z"},"accession":"S-EPMC3379206","cross_references":{"pubmed":["22719404"],"doi":["10.1107/S1600536812018466"]}}