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1-Tridecanol-d27

CAT: 0804-HY-W004293S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W004293S-01Size:5 mg
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Description
N-Tridecyl Alcohol-d27 is the deuterium labeled 1-Tridecanol[1].
CAS Number
203633-18-5
Product Name Alternative
Tridecyl Alcohol-d27
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.7
Solubility
10 mM in DMSO
Smiles
OC([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([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C13HD27O
Molecular Weight
227.53
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-Tridecyl-D27 alcohol

See also: 1-Tridecanol (annotation moved to).

CAS Number203633-18-5
PubChem CID102601762
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosadeuteriotridecan-1-ol
Molecular FormulaC13H28O
Molecular Weight227.53
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity91
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([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2
InChIKey
XFRVVPUIAFSTFO-RZVOLPTOSA-N
Chemical Structure
2D Structure
2D structure of N-Tridecyl-D27 alcohol
CAS: 203633-18-5
CID: 102601762
Formula: C13H28O
MW: 227.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.53
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass227.383487653
Monoisotopic Mass227.383487653
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity91.2
Isotope Atom Count27
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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