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Dodecanoate-d23 (potassium)

CAT: 0804-HY-W115763S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W115763S1-01Size:5 mg
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Description
Dodecanoate-d23 (potassium) is the deuterium labeled Dodecanoate[1].
CAS Number
51732-20-8
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O[K])=O
Molecular Formula
C12D23KO2
Molecular Weight
261.55
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 dodecanoate-D23
CAS Number51732-20-8
PubChem CID90473085
IUPAC Namepotassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoate
Molecular FormulaC12H23KO2
Molecular Weight261.55
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity138
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)[O-].[K+]
InChI
InChI=1S/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2;
InChIKey
HIDKSOTTZRMUML-LBOOQGLESA-M
Chemical Structure
2D Structure
2D structure of Potassium dodecanoate-D23
CAS: 51732-20-8
CID: 90473085
Formula: C12H23KO2
MW: 261.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.55
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass261.27787661
Monoisotopic Mass261.27787661
Topological Polar Surface Area40.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity138
Isotope Atom Count23
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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CatalogName
P698802Potassium Dodecanoate-d23
P698801Potassium Dodecanoate-2,2-d2
M315651Methyl Dodecanoate-d23
E917386Ethyl Dodecanoate-d23
TRC-D494712-25MG6-Dodecanoate-1,4-anhydro-D-glucitol-d23
TRC-D435637-25MGDicyclohexylmethanol-d23
CS-O-45471Buspirone D23
T84140-01Ethyl dodecanoate
MBS392515-01Methyl Dodecanoate
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