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Stearate-d2 (potassium)

CAT: 0804-HY-W133986S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W133986S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Stearate-d2 (potassium) is the deuterium labeled Stearate[1].
CAS Number
352438-86-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCC([2H])([2H])C(O[K])=O
Molecular Formula
C18H33D2KO2
Molecular Weight
324.58
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 octadecanoate-2,2-D2
CAS Number352438-86-9
PubChem CID102601136
IUPAC Namepotassium 2,2-dideuteriooctadecanoate
Molecular FormulaC18H35KO2
Molecular Weight324.6
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity207
SMILES
[2H]C([2H])(CCCCCCCCCCCCCCCC)C(=O)[O-].[K+]
InChI
InChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1/i17D2;
InChIKey
ANBFRLKBEIFNQU-LDSOZFSUSA-M
Chemical Structure
2D Structure
2D structure of Potassium octadecanoate-2,2-D2
CAS: 352438-86-9
CID: 102601136
Formula: C18H35KO2
MW: 324.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass324.23996533
Monoisotopic Mass324.23996533
Topological Polar Surface Area40.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity207
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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