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Tetradecanoate-d2 (potassium)

CAT: 0804-HY-W115788S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W115788S-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tetradecanoate-d2 (potassium) is the deuterium labeled Tetradecanoate[1].
CAS Number
352438-85-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCC([2H])([2H])C(O[K])=O
Molecular Formula
C14H25D2KO2
Molecular Weight
268.47
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Potassium tetradecanoate-2,2-D2
CAS Number352438-85-8
PubChem CID90472199
IUPAC Namepotassium 2,2-dideuteriotetradecanoate
Molecular FormulaC14H27KO2
Molecular Weight268.47
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity160
SMILES
[2H]C([2H])(CCCCCCCCCCCC)C(=O)[O-].[K+]
InChI
InChI=1S/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1/i13D2;
InChIKey
PYJBVGYZXWPIKK-MUVBCOKNSA-M
Chemical Structure
2D Structure
2D structure of Potassium tetradecanoate-2,2-D2
CAS: 352438-85-8
CID: 90472199
Formula: C14H27KO2
MW: 268.47
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass268.17736508
Monoisotopic Mass268.17736508
Topological Polar Surface Area40.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity160
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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