3,5-Dinitro-L-tyrosine - ≥98% , CAS No.17360-11-1

CAS: 17360-11-1 Cat. No.: D117103 Fórmula: C₉H₉N₃O₇ Peso molecular: 271.2 Número EC: 815-705-6

CALIDAD & PUREZA ≥98%

Synonyms

3,5-Dinitro-L-tyrosine | AM83568 | (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid | (2S)-2-amino-3-(4-hydroxy-3,5-dinitro-phenyl)propanoic acid | MFCD00038093 | AS-58180 | H-Tyr(3,5-(NO2)2)-OH | J-300436 | C03225 | InChI=1/C9H9N3O7/c10-5(9(14)

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

3,5-Dinitro-L-tyrosine | AM83568 | (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid | (2S)-2-amino-3-(4-hydroxy-3,5-dinitro-phenyl)propanoic acid | MFCD00038093 | AS-58180 | H-Tyr(3,5-(NO2)2)-OH | J-300436 | C03225 | InChI=1/C9H9N3O7/c10-5(9(14)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488189758

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189758

Sonrisas canónicas

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(C(=O)O)N

IUPAC Name

(2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid

InChIKey

SAZOSDSFLRXREA-YFKPBYRVSA-N

INCHI

1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

Isómeros SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C[C@@H](C(=O)O)N

Peso molecular

271.2

Reaxy-Rn

2226322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2226322&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 Tyrosine 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: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Dinitrophenols Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Nitrobenzenes Nitroaromatic compounds Aralkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organic oxides Monoalkylamines Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Dinitrophenol - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Nitrophenol - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Amino acid - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Aromatic homomonocyclic compound
• Descripción: 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: C-nitro compound - non-proteinogenic L-alpha-amino acid - L-tyrosine derivative

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 271.180 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 271.044 Da
• Monoisotopic Mass: 271.044 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 353.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17360-11-1, the molecular formula is C9H9N3O7, and the molecular weight is 271.2 g/mol. InChIKey SAZOSDSFLRXREA-YFKPBYRVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.