Tos-PEG9-Tos - ≥95% , CAS No.57436-38-1

CAS: 57436-38-1 Cat. No.: T597183 Fórmula: C₃₀H₄₆O₁₃S₂ Peso molecular: 678.80

GRADE & PURITY ≥95%

Synonyms

DTXSID20438088 | SCHEMBL18644929 | C70485 | Octaethylene glycol di(p-toluenesulfonate) | Tos-PEG8-Tos | BP-21826 | 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diyl bis(4-methylbenzenesulfonate) | HY-140369 | 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diyl bis(

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Tos-PEG9-Tos is a PEG derivative containing two tosyl groups. The hydrophilic PEG spacer increases solubility in aqueous media. The tosyl group is a very good leaving group for nucleophilic substitution reactions.

Specifications

Sinónimos

DTXSID20438088 | SCHEMBL18644929 | C70485 | Octaethylene glycol di(p-toluenesulfonate) | Tos-PEG8-Tos | BP-21826 | 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diyl bis(4-methylbenzenesulfonate) | HY-140369 | 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diyl bis(

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528767527

Sorrisos canónicos

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C

IUPAC Name

2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

InChIKey

QYYVGRJXXOLFKL-UHFFFAOYSA-N

INCHI

1S/C30H46O13S2/c1-27-3-7-29(8-4-27)44(31,32)42-25-23-40-21-19-38-17-15-36-13-11-35-12-14-37-16-18-39-20-22-41-24-26-43-45(33,34)30-9-5-28(2)6-10-30/h3-10H,11-26H2,1-2H3

SMILES isoméricas

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C

Peso molecular

678.80

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive；Light sensitive
• Peso molecular: 678.800 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 28
• Exact Mass: 678.238 Da
• Monoisotopic Mass: 678.238 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 831.000
• 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