3-(4-Hydroxyphenyl)propionic acid N-hydroxysuccinimide ester (SHPP) - ≥90% , CAS No.34071-95-9

CAS: 34071-95-9 Cat. No.: S136561 Peso molecular: 263.25 Beilstein Registry Number: 1545011 Número EC: 251-818-1 PubChem CID: 99557

GRADE & PURITY ≥90%

Synonyms

SHPP | FS-6395 | KYRUKRFVOACELK-UHFFFAOYSA-N | 3-(4-Hydroxyphenyl) propionic acid N-hydroxysuccinimide ester | Benzenepropanoic acid, 4-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester | 2,5-Dioxo-1-pyrrolidinyl 3-(4-Hydroxyphenyl)propanoate | A822063 | Bolton-Hu

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Bolton-Hunter reagent precursor (3-(4-Hydroxyphenyl)propionic acid N-hydroxysuccinimide ester) is a hydroxysuccinimide ester used as an intermediate for high radioactive radioiodination of proteins.

Specifications

Sinónimos

SHPP | FS-6395 | KYRUKRFVOACELK-UHFFFAOYSA-N | 3-(4-Hydroxyphenyl) propionic acid N-hydroxysuccinimide ester | Benzenepropanoic acid, 4-hydroxy-, 2, 5-dioxo-1-pyrrolidinyl ester | 2, 5-Dioxo-1-pyrrolidinyl 3-(4-Hydroxyphenyl)propanoate | A822063 | Bolton-Hu

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504756443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756443
• Sonrisas canónicas: C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenyl)propanoate
• InChIKey: KYRUKRFVOACELK-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2
• Isómeros SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O
• WGK Alemania: 3
• PubChem CID: 99557
• Peso molecular: 263.25
• Beilstein: 1545011

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Pyrrolidine-2-ones Benzene and substituted derivatives Dicarboximides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

• Solubilidad: Soluble in water.
• Peso molecular: 263.250 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.079 Da
• Monoisotopic Mass: 263.079 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 357.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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