Home Carboxys 1,3-dioxane-2-carboxylic acid

1,3-dioxane-2-carboxylic acid

CAS No.:
204527-26-4
Catalog Number:
AG01B1CL
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
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Product Description
Catalog Number:
AG01B1CL
Chemical Name:
1,3-dioxane-2-carboxylic acid
CAS Number:
204527-26-4
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
IUPAC Name:
1,3-dioxane-2-carboxylic acid
InChI:
InChI=1S/C5H8O4/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
InChI Key:
AFWWNXOSDUHYFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1OCCCO1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Modulation of PPAR receptor subtype selectivity of the ligands: aliphatic chain vs aromatic ring as a spacer between pharmacophore and the lipophilic moiety. Bioorganic & medicinal chemistry letters 20081215
Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent. Bioorganic & medicinal chemistry letters 20081015
Design and synthesis of novel oxazole containing 1,3-dioxane-2-carboxylic acid derivatives as PPAR alpha/gamma dual agonists. Bioorganic & medicinal chemistry 20080801
Discovery of a novel class of 1,3-dioxane-2-carboxylic acid derivatives as subtype-selective peroxisome proliferator-activated receptor alpha (PPARalpha) agonists. Bioorganic & medicinal chemistry letters 20080315
Structure-activity studies on 1,3-dioxane-2-carboxylic acid derivatives, a novel class of subtype-selective peroxisome proliferator-activated receptor alpha (PPARalpha) agonists. Bioorganic & medicinal chemistry 20080115
Properties