m-PEG4-Tos - ≥98% , CAS No.62921-76-0

CAS: 62921-76-0 Cat. No.: M596824 分子式: C₁₆H₂₆O₇S 分子量: 362.44 PubChem CID: 12415691

グレード＆純度 ≥98%

Synonyms

CRLOMMYKVYXMLY-UHFFFAOYSA-N | AKOS030213492 | m-PEG5-OTs | mPEG5-Tosylate | MFCD11041134 | m-PEG5-Tos | 2,5,8,11-TETRAOXATRIDECAN-13-YL 4-METHYLBENZENESULFONATE | 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate | SCHEMBL2329512

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

m-PEG4-Tos is a derivative of silybin ethers, extracted from patent CN105037337A (compound III-b). m-PEG4-Tos is a PEG-based PROTAC linker can be used in the synthesis of Silymarin .

仕様

同義語

CRLOMMYKVYXMLY-UHFFFAOYSA-N | AKOS030213492 | m-PEG5-OTs | mPEG5-Tosylate | MFCD11041134 | m-PEG5-Tos | 2,5,8,11-TETRAOXATRIDECAN-13-YL 4-METHYLBENZENESULFONATE | 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate | SCHEMBL2329512

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508817330

カノニカル・スマイル

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOC

IUPAC Name

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

InChIKey

CRLOMMYKVYXMLY-UHFFFAOYSA-N

INCHI

1S/C16H26O7S/c1-15-3-5-16(6-4-15)24(17,18)23-14-13-22-12-11-21-10-9-20-8-7-19-2/h3-6H,7-14H2,1-2H3

異性体SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOC

PubChem CID

12415691

分子量

362.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 362.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 362.14 Da
• Monoisotopic Mass: 362.14 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 386.000
• 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