DL-Phenyl-d5-alanine - ≥98 atom% D , CAS No.284664-89-7

CAS: 284664-89-7 Cat. No.: D303325 Formula: C₉H₆D₅NO₂ Peso molecolare: 170.22

GRADE & PURITY ≥98 atom% D

Synonyms

DL-Phenyl-d5-alanine, 98 atom % D | MS-22927 | 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid | CHEBI:76052 | SCHEMBL1040108 | DTXSID60514739 | DL-Phenyl-d5-alanine | (2,3,4,5,6-~2~H_5_)Phenylalanine | L-Phenyl-d5-alanine, 98 atom % D | (2,3,4,5,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

DL-Phenyl-d5-alanine, 98 atom % D | MS-22927 | 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid | CHEBI:76052 | SCHEMBL1040108 | DTXSID60514739 | DL-Phenyl-d5-alanine | (2,3,4,5,6-~2~H_5_)Phenylalanine | L-Phenyl-d5-alanine, 98 atom % D | (2,3,4,5,

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98 atom% D

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)CC(C(=O)O)N

IUPAC Name

2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid

InChIKey

COLNVLDHVKWLRT-RALIUCGRSA-N

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

Isomeri SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(C(=O)O)N)[2H])[2H]

Peso molecolare

170.22

Reaxy-Rn

1910407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: non-proteinogenic alpha-amino acid - deuterated compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 266-267°C (lit.)
• Peso molecolare: 170.220 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.11 Da
• Monoisotopic Mass: 170.11 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.