m-PEG4-Tos - ≥98% , CAS No.62921-76-0

CAS: 62921-76-0 Cat. No.: M596824 Formula: C₁₆H₂₆O₇S Peso molecolare: 362.44 PubChem CID: 12415691

QUALITÀ & PUREZZA ≥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

Panoramica

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 .

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508817330

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

12415691

Peso molecolare

362.44

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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