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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23NO4
Molecular Weight 269.3367
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

SMILES

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1

InChI

InChIKey=DPNRMEJBKMQHMC-GHMZBOCLSA-N
InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
Systematic Name English
(4R,6R)-TERT-BUTYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
Systematic Name English
(4R-CIS)-1, 1-DIMETHYLETHYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
Systematic Name English
(6R-CYANOMETHYL-2,2-DIMETHYL-(1,3)DIOXAN-4R-YL)ACETIC ACID TERT-BUTYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
2734287
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
CAS
125971-94-0
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
FDA UNII
UW4BC1SFB0
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID60370195
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
NIH
NCATS
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