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1-Hexanol-d11

CAT: 0804-HY-W032022S1-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W032022S1-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Hexanol-d11 is the deuterium labeled 1-Hexanol[1]. 1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties[2]. 1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism[3].
CAS Number
2159-18-4
UNSPSC
12352211
Target
Isotope-Labeled Compounds; Mitochondrial Metabolism
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Purity
99.33
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CO
Molecular Formula
C6H3D11O
Molecular Weight
113.24
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Cuong V Nguyen, et al. Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. J Phys Chem B. 2013 Jun 27;117 (25) :7615-20.|[3]M Canton, et al. The nature of uncoupling by n-hexane, 1-hexanethiol and 1-hexanol in rat liver mitochondria. Biochim Biophys Acta. 1996 May 201274 (1-2) :39-47.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Hexanol-d11
CAS Number2159-18-4
PubChem CID91748629
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol
Molecular FormulaC6H14O
Molecular Weight113.24
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity27
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CO
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2
InChIKey
ZSIAUFGUXNUGDI-GILSBCIXSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexanol-d11
CAS: 2159-18-4
CID: 91748629
Formula: C6H14O
MW: 113.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.24
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass113.173509271
Monoisotopic Mass113.173509271
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
Isotope Atom Count11
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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