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Alanine-2,3,3,3-d4

CAT: 0804-HY-W244382-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W244382-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alanine-2,3,3,3-d4 is the deuterium labeled Alanine-2,3,3,3[1].
CAS Number
53795-92-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.81
Solubility
H2O : ≥ 50 mg/mL
Smiles
OC(C(N)([2H])C([2H])([2H])[2H])=O
Molecular Formula
C3H3D4NO2
Molecular Weight
93.12
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
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

(2,3,3,3-d4)Alanine

Alanine-2,3,3,3-d4 is a deuterated compound that is alanine in which each of the four hydrogens attached to carbon atoms have been replaced by deuterium. It is an alanine and a deuterated compound.

CAS Number53795-92-9
PubChem CID16213419
IUPAC Name2-amino-2,3,3,3-tetradeuteriopropanoic acid
Molecular FormulaC3H7NO2
Molecular Weight93.12
XLogP-3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity61
SMILES
[2H]C([2H])([2H])C([2H])(C(=O)O)N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i1D3,2D
InChIKey
QNAYBMKLOCPYGJ-MZCSYVLQSA-N
Chemical Structure
2D Structure
2D structure of (2,3,3,3-d4)Alanine
CAS: 53795-92-9
CID: 16213419
Formula: C3H7NO2
MW: 93.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight93.12
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass93.072785450
Monoisotopic Mass93.072785450
Topological Polar Surface Area63.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.8
Isotope Atom Count4
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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Alternative Products

CatalogName
DE2163Alanine-2,3,3,3-D4
469650β-Alanine-2,2,3,3-D4
TMIJ-0101-01DL-Alanine-2,3,3,3-d4
RG-E141286-01D-Alanine-2,3,3,3-D4
TAA80629-01L-Alanine-2,3,3,3-d4
TRC-A637322-10MGBeta-Alanine-2,2,3,3-D4
449733-01Ethyl β-Alanine-2,2,3,3-d4 Ester
TRC-A167966-100MGN-Acetyl-D-alanine-2,3,3,3-d4
CS-C-01138D-Alanine-2,3,3,3-d4-N-FMOC
457994-01N-Acetyl-L-alanine-2,3,3,3-d4

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