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L-Valine-d8 (Standard)

CAT: 0804-HY-I1124RSize: InquireDry Ice: NoHazardous: No
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CAS Number
35045-72-8
UNSPSC Description
L-Valine-d8 (Standard) is the analytical standard of L-Valine-d8. This product is intended for research and analytical applications. L-Valine-d8 is a deuterated form of L-Valine. L-Valine-d8 can be used in the labelled synthesis of L-valineamide-d8 intermediate[1]. L-Valine is one of 20 proteinogenic amino acids. L-Valine is an essential amino acid[2].
Target Antigen
Isotope-Labeled Compounds
Type
Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])[C@@](N)([2H])C(O)=O
Molecular Weight
125.20
References & Citations
[1]Iyer MR, et al. Synthesis of S-2-((S)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamido)-3-(methyl-d3)butanamide-d5, octadeuterated JD5037. J Labelled Comp Radiopharm. 2017;60(10):460-465.|[2]Oldiges, et al. Application of metabolic engineering for the biotechnological production of L-valine. Appl Microbiol Biotechnol 98, 5859–5870 (2014).
Shipping Conditions
Room temperature

Chemical Information

L-Valine-d8

L-valine-d8 is a L-valine and a deuterated compound.

CAS Number35045-72-8
PubChem CID12169458
IUPAC Name(2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid
Molecular FormulaC5H11NO2
Molecular Weight125.20
XLogP-2.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity90
SMILES
[2H][C@@](C(=O)O)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1D3,2D3,3D,4D
InChIKey
KZSNJWFQEVHDMF-AYWPRJOCSA-N
Chemical Structure
2D Structure
2D structure of L-Valine-d8
CAS: 35045-72-8
CID: 12169458
Formula: C5H11NO2
MW: 125.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.20
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass125.129192561
Monoisotopic Mass125.129192561
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.4
Isotope Atom Count8
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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