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Dodecane-1,12-diol-d24

CAT: 0804-HY-W014779S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W014779S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dodecane-1,12-diol-d24 is the deuterium labeled Dodecane-1,12-diol[1].
CAS Number
1219802-88-6
Product Name Alternative
Dodecamethylene glycol-d24
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99
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])O
Molecular Formula
C12H2D24O2
Molecular Weight
226.48
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

1,12-Dodecane-D24-diol
CAS Number1219802-88-6
PubChem CID131845826
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-tetracosadeuteriododecane-1,12-diol
Molecular FormulaC12H26O2
Molecular Weight226.48
XLogP4.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity82
SMILES
[2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
InChIKey
GHLKSLMMWAKNBM-JFPVQUMHSA-N
Chemical Structure
2D Structure
2D structure of 1,12-Dodecane-D24-diol
CAS: 1219802-88-6
CID: 131845826
Formula: C12H26O2
MW: 226.48
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.48
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass226.343921971
Monoisotopic Mass226.343921971
Topological Polar Surface Area40.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity82.3
Isotope Atom Count24
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes