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Pivalate-d3 (sodium)

CAT: 0804-HY-W006398SSize: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W006398SSize:1 g
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Description
Pivalate-d3 (sodium) is the deuterium labeled Sodium pivalate[1].
CAS Number
39230-37-0
Product Name Alternative
Sodium hydrogen di (acetate-d3)
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(O[Na])=O
Molecular Formula
C2D3NaO2
Molecular Weight
85.05
Precautions
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.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sodium hydrogen di(2H3)acetate
CAS Number39230-37-0
PubChem CID16211391
IUPAC Namesodium 2,2,2-trideuterioacetate
Molecular FormulaC2H3NaO2
Molecular Weight85.05
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity34
SMILES
[2H]C([2H])([2H])C(=O)[O-].[Na+]
InChI
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i1D3;
InChIKey
VMHLLURERBWHNL-NIIDSAIPSA-M
Chemical Structure
2D Structure
2D structure of Sodium hydrogen di(2H3)acetate
CAS: 39230-37-0
CID: 16211391
Formula: C2H3NaO2
MW: 85.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight85.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass85.02190385
Monoisotopic Mass85.02190385
Topological Polar Surface Area40.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity34.6
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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