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(±)-Decanoylcarnitine chloride

CAT: 0607-B6315-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6315-50Size:50 mg
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Description
intermediate in lipid metabolism
CAS Number
14919-36-9
Product Name Alternative
(R)-3-carboxy-2-(decanoyloxy)-N,N,N-trimethylpropan-1-aminium chloride
Field of Research
Metabolism Lipid Metabolism
Purity
0.98
Form
White solid
Solubility
<35.19mg/ml in H2O
Smiles
O=C(CCCCCCCCC)O[C@H](CC(O)=O)C[N+](C)(C)C.[Cl-]
Molecular Formula
C17H34ClNO4
Molecular Weight
351.91
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

(+/-)-Decanoylcarnitine chloride
CAS Number14919-36-9
PubChem CID24802062
IUPAC Name(3-carboxy-2-decanoyloxypropyl)-trimethylazanium chloride
Molecular FormulaC17H34ClNO4
Molecular Weight351.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity323
SMILES
CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C17H33NO4.ClH/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4;/h15H,5-14H2,1-4H3;1H
InChIKey
KETNUEKCBCWXCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Decanoylcarnitine chloride
CAS: 14919-36-9
CID: 24802062
Formula: C17H34ClNO4
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass351.2176363
Monoisotopic Mass351.2176363
Topological Polar Surface Area63.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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