81644-56-6

Basic information

• Product Name: 5-methyl-1-[3-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracont-5-yl]m
• CAS NO: 81644-56-6
• Molecular Formula: C₅₀H₈₀N₂O₃₆S
• Molecular Weight: 1317.227
• Mol File: 81644-56-6.mol
• Article Data: 2

Chemical Properties

• Density: 1.57g/cm³
• Refractive Index: 1.593
• CAS DataBase Reference: 5-methyl-1-[3-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracont-5-yl]m(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-1-[3-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracont-5-yl]m(81644-56-6)
• EPA Substance Registry System: 5-methyl-1-[3-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracont-5-yl]m(81644-56-6)

Safety Data

• Hazardous Substances Data: 81644-56-6(Hazardous Substances Data)

Upstream product

• 81644-55-5 6-deoxy-6-mercapto-β-cyclodextrin 
• 22919-50-2 1-(3-bromopropyl)-5-methylpyrimidine-2,4(1H,3H)-dione 
• 67217-55-4 mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin 
• 81644-60-2 1-(3-mercaptopropyl)thymine 

Relevant articles and documents

Nucleobase-Functionalized β-Cyclodextrins. Preparation and Spectral Properties

The nucleobase-functionalized β-cyclodextrins in which a nucleobase was linked to C-6 of β-cyclodextrin directly or through a flexible carbon chain were synthesized.Their structures were determined on the basis of spectroscopic data and elemental analyses.Fast atom bombardment mass spectrometry was employed to determine the molecular weight of these nonvolatile compounds.The specific interaction of the nucleobase moiety with the cyclodextrin cavity, the influence of chain length on their inclusion abilities, and the pH-dependent conformational change of these compounds are dicussed on the basis of analyses of these molecules by UV and circular dichroism spectra.