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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23ClO4
Molecular Weight 278.772
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl (4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

SMILES

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

InChI

InChIKey=TXLXWCARAPIXGH-VHSXEESVSA-N
InChI=1S/C13H23ClO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,1-Dimethylethyl (4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Systematic Name English
1,3-Dioxane-4-acetic acid, 6-(chloromethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6R)-
Preferred Name English
tert-Butyl2-((4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
98008761
Created by admin on Wed Apr 02 19:07:33 GMT 2025 , Edited by admin on Wed Apr 02 19:07:33 GMT 2025
PRIMARY
FDA UNII
A9TY3V37TB
Created by admin on Wed Apr 02 19:07:33 GMT 2025 , Edited by admin on Wed Apr 02 19:07:33 GMT 2025
PRIMARY
CAS
521973-99-9
Created by admin on Wed Apr 02 19:07:33 GMT 2025 , Edited by admin on Wed Apr 02 19:07:33 GMT 2025
PRIMARY
NIH
NCATS
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