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DL-Phenyl-d5-alanine

CAT: 0572-TRC-D181216-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D181216-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
284664-89-7
Synonyms
Phenyl-d5-alanine (9CI)
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=C(C(CC1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])N)O
Molecular Formula
C9H6D5NO2
Molecular Weight
170.22
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)/i1D,2D,3D,4D,5D
Additionnal Information
IUPAC name: 2-Amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

(2,3,4,5,6-~2~H_5_)Phenylalanine

Phenylalanine-d5 is a deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium. It is a deuterated compound and a non-proteinogenic alpha-amino acid.

CAS Number284664-89-7
PubChem CID13000995
IUPAC Name2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Molecular FormulaC9H11NO2
Molecular Weight170.22
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]C1=C(C(=C(C(=C1[2H])[2H])CC(C(=O)O)N)[2H])[2H]
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)/i1D,2D,3D,4D,5D
InChIKey
COLNVLDHVKWLRT-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of (2,3,4,5,6-~2~H_5_)Phenylalanine
CAS: 284664-89-7
CID: 13000995
Formula: C9H11NO2
MW: 170.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.22
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass170.110362323
Monoisotopic Mass170.110362323
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count5
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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