Description générale

Synonymes	MFCD01860881 \| L-PENTAFLUOROPHE \| L-2,3,4,5,6-Pentafluorophenylalanine \| (S)-2-Amino-3-(perfluorophenyl)propanoicacid \| DS-3939 \| SCHEMBL158168 \| (S)-2-Amino-3-(perfluorophenyl)propanoic acid \| UNII-VJJ37GCZ42 \| VJJ37GCZ42 \| (2S)-2-amino-3-(2,3,4,5,6-pent
Spécifications et pureté	≥95%(HPLC)
Expédié en	Normal

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 L-alpha-amino acids Amphetamines and derivatives Fluorobenzenes Aralkylamines Aryl fluorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides 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 - L-alpha-amino acid - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description	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	Not available
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

Noms et identifiants

Pubchem Sid	488193220
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193220
IUPAC Name	(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
INCHI	InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
InChIKey	YYTDJPUFAVPHQA-VKHMYHEASA-N
Smiles	C(C1=C(C(=C(C(=C1F)F)F)F)F)C(C(=O)O)N
Isomères SMILES	C(C1=C(C(=C(C(=C1F)F)F)F)F)[C@@H](C(=O)O)N
PubChem CID	2761496
Poids moléculaire	255.14
Reaxy-Rn	5876875

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Article
C2323103	Certificate of Analysis	Mar 02, 2023	P160678
C23231050	Certificate of Analysis	Mar 02, 2023	P160678
C23231030	Certificate of Analysis	Mar 02, 2023	P160678
C23231014	Certificate of Analysis	Mar 02, 2023	P160678

Propriétés chimiques et physiques

Solubilité	Solubility in water: Practically insoluble
Rotation spécifique [α]	19° (C=0.2,H2O)
Point de fusion (°C)	258 °C(dec.)
Poids moléculaire	255.140 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	255.032 Da
Monoisotopic Mass	255.032 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. He Jing, Yu Tao, Yang Weidong, Li Yan. (2022) Biodegradable Star-Shaped Poly(lactic acid): Synthesis, Characterization and Its Reaction Kinetics. JOURNAL OF POLYMERS AND THE ENVIRONMENT, 30 (8): (3121-3128).

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SKU	Taille	Disponibilité	Prix	Qté
P160678-250mg	250mg	4	85,90$US
P160678-1g	1g	4	262,90$US

Pentafluoro-L-phenylalanine - 95%(HPLC), high purity , CAS No.34702-59-5