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TOFA 25mg

CAT: 0628-A12276-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12276-25Size:25 mg
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CAS Number
54857-86-2

Chemical Information

5-(Tetradecyloxy)-2-furoic acid

5-(tetradecyloxy)-2-furoic acid is a member of the class of furans that is 2-furoic acid in which the hydrogen at position 5 is replaced by a tetradecyloxy group. It has a role as an antineoplastic agent, an apoptosis inducer, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a PPARalpha agonist. It is an aromatic ether and a furoic acid. It is functionally related to a 2-furoic acid.

CAS Number54857-86-2
PubChem CID115175
IUPAC Name5-tetradecoxyfuran-2-carboxylic acid
Molecular FormulaC19H32O4
Molecular Weight324.5
XLogP7.8
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity293
SMILES
CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)
InChIKey
CZRCFAOMWRAFIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Tetradecyloxy)-2-furoic acid
CAS: 54857-86-2
CID: 115175
Formula: C19H32O4
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass324.23005950
Monoisotopic Mass324.23005950
Topological Polar Surface Area59.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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