O-tert-Butyl-L-tyrosine - ≥96% , CAS No.18822-59-8

CAS: 18822-59-8 Cat. No.: B117010 Peso molecular: 237.29 Número EC: 606-132-0

GRADE & PURITY ≥96%

Synonyms

O-tert-Butyl-L-tyrosine | Q27466777 | (S)-2-Amino-3-(4-(tert-butoxy)phenyl)propanoic acid | J-012120 | Tyrosine, O-(1,1-dimethylethyl)- | 1242832-62-7 | DTXSID30428576 | SNZIFNXFAFKRKT-NSHDSACASA-N | HY-W012133 | EN300-1168870 | O-t-Butyl-L-tyrosine | H-L

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

O-tert-Butyl-L-tyrosine | Q27466777 | (S)-2-Amino-3-(4-(tert-butoxy)phenyl)propanoic acid | J-012120 | Tyrosine, O-(1, 1-dimethylethyl)- | 1242832-62-7 | DTXSID30428576 | SNZIFNXFAFKRKT-NSHDSACASA-N | HY-W012133 | EN300-1168870 | O-t-Butyl-L-tyrosine | H-L

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488196238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196238
• Sonrisas canónicas: CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
• InChIKey: SNZIFNXFAFKRKT-NSHDSACASA-N
• INCHI: 1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
• Isómeros SMILES: CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)N
• WGK Alemania: 3
• Peso molecular: 237.29
• Reaxy-Rn: 3032966
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3032966&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 L-alpha-amino acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Phenol ether - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Amine - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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

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

Propiedades químicas y físicas

• Rotación específica [α]: -6° (C=1,1mol/L HCl)
• Punto de fusión (°C): 205°C
• Peso molecular: 237.290 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.136 Da
• Monoisotopic Mass: 237.136 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 252.000
• 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

Referencias

1. Zhang Qiang, Chen Wanyi, Qin Ming, Wang Yuhao, Pu Zhongji, Ding Keyan, Liu Yuyue, Zhang Qunfeng, Li Dongfang, Li Xinjia, Zhao Yu, Yao Jianhua, Huang Lei, Wu Jianping, Yang Lirong, Chen Huajun, Yu Haoran.  (2025)  Integrating protein language models and automatic biofoundry for enhanced protein evolution.  Nature Communications,  16  (1): (1-16).  [PMID:39934638] [10.1038/s41467-025-56751-8]