3-Bromotyrosine - ≥95% , CAS No.54788-30-6

CAS: 54788-30-6 Cat. No.: B665380 Summenformel: C₉H₁₀BrNO₃ Molekulargewicht: 260.08 PubChem CID: 148708

GRADE & PURITY ≥95%

Synonyms

2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid | 3-Bromo-DL-tyrosine

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid | 3-Bromo-DL-tyrosine

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528758966

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758966

Kanonisches Lächeln

C1=CC(=C(C=C1CC(C(=O)O)N)Br)O

IUPAC Name

2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid

InChIKey

HGWOSUKIFQMEIF-UHFFFAOYSA-N

INCHI

1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)

Isomere SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)Br)O

PubChem CID

148708

Molekulargewicht

260.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Bromobenzenes Aryl bromides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organobromides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - 2-bromophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Bromobenzene - Aralkylamine - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: monocarboxylic acid

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 260.079 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.984 Da
• Monoisotopic Mass: 258.984 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• 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