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DL-3-Phenylalanine-d2

CAT: 0804-HY-W738775Size: 1 EachDry Ice: NoHazardous: No
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Description
DL-3-Phenylalanine-d2 (DLPA-d2) is the deuterium labeled DL-3-Phenylalanine. DL-3-Phenylalanine is a phenylalanine derivative[1].
CAS Number
96259-02-8
Product Name Alternative
DLPA-d2; NSC 9959-d2
UNSPSC
12352005
Target
Amino Acid Derivatives; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
NC(C([2H])(C1=CC=CC=C1)[2H])C(O)=O
Molecular Formula
C9H9D2NO2
Molecular Weight
167.20
References & Citations
[1]Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55 (13) :1793-807.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(beta,beta-~2~H_2_)Phenylalanine
CAS Number96259-02-8
PubChem CID16213432
IUPAC Name2-amino-3,3-dideuterio-3-phenylpropanoic acid
Molecular FormulaC9H11NO2
Molecular Weight167.20
XLogP-1.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
[2H]C([2H])(C1=CC=CC=C1)C(C(=O)O)N
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i6D2
InChIKey
COLNVLDHVKWLRT-NCYHJHSESA-N
Chemical Structure
2D Structure
2D structure of (beta,beta-~2~H_2_)Phenylalanine
CAS: 96259-02-8
CID: 16213432
Formula: C9H11NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.091532086
Monoisotopic Mass167.091532086
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count2
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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