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(±) -1,2-Propanediol-d6

CAT: 0804-HY-Y0921S2-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0921S2-01Size:1 mg
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Description
(±) -1,2-Propanediol-d6 is the deuterium labeled (±) -1,2-Propanediol. (±) -1,2-Propanediol (1,2- (RS) -Propanediol) is an aliphatic alcohol and frequently used as an excipient in many agent formulations to increase the solubility and stability of agents[1][2].
CAS Number
52910-80-2
Product Name Alternative
1,2- (RS) -Propanediol-d6; 1,2-Propylene glycol-d6; Propylene glycol-d6
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Neurological Disease
Purity
99.0
Solubility
H2O : 250 mg/mL (ultrasonic)
Smiles
OC([2H])([2H])C(O)([2H])C([2H])([2H])[2H]
Molecular Formula
C3H2D6O2
Molecular Weight
82.13
Precautions
H302, H315, H319, H335
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]De Cock RF, et al. Low but inducible contribution of renal elimination to clearance of propylene glycol in preterm and term neonates. Ther Drug Monit. 2014 Jun;36 (3) :278-87.
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

1,2-Propane-d6-diol
CAS Number52910-80-2
PubChem CID71309005
IUPAC Name1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
Molecular FormulaC3H8O2
Molecular Weight82.13
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity20
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])O)O
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D
InChIKey
DNIAPMSPPWPWGF-LIDOUZCJSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Propane-d6-diol
CAS: 52910-80-2
CID: 71309005
Formula: C3H8O2
MW: 82.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.13
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass82.090089969
Monoisotopic Mass82.090089969
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity20.9
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-P760312-250MG1,2-Propanediol-d6
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AR-P03039-011, 3-Propanediol-d6
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CS-O-602231,3-Propanediol di-p-tosylate-d6
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TRC-P760310-1G1,2-Propanediol
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