Mono-6-O-(p-toluenesulfonyl)-β-cyclodextrin - ≥85%(HPLC) , CAS No.67217-55-4

CAS: 67217-55-4 Cat. No.: M158314 Peso molecular: 1289.17

GRADE & PURITY ≥85%(HPLC)

Synonyms

6-Monotosyl-β-cyclodextrin | β-Cyclodextrin 6-monotosylate | β-Cyclodextrin 6-tosylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

Mono(6-O-p-tolylsulfonyl)-β-cyclodextrin (CAS# 67217-55-4) is carbohydrate used in the preparation of electroactive polyaniline/silica hybrid sol-gels. Recently, mono(6-O-p-tolylsulfonyl)-β-cyclodextrin has been proposed for use as a catalyst for atmospheric CO2 fixation by conversion to cuclic carbonate.

Specifications

Sinónimos

6-Monotosyl-β-cyclodextrin | β-Cyclodextrin 6-monotosylate | β-Cyclodextrin 6-tosylate

Especificaciones y pureza

≥85%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥85%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504765657
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765657
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O3)C(C9O)O)CO)CO)CO)CO)CO)CO)O)O
• IUPAC Name: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl 4-methylbenzenesulfonate
• InChIKey: URYLJCBFCXEADB-XISQNVKBSA-N
• INCHI: 1S/C49H76O37S/c1-13-2-4-14(5-3-13)87(70,71)72-12-21-42-28(62)35(69)49(79-21)85-41-20(11-55)77-47(33(67)26(41)60)83-39-18(9-53)75-45(31(65)24(39)58)81-37-16(7-51)73-43(29(63)22(37)56)80-36-15(6-50)74-44(30(64)23(36)57)82-38-17(8-52)76-46(32(66)25(38)59)84-40-19(10-54)78-48(86-42)34(68)27(40)61/h2-5,15-69H,6-12H2,1H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O
• Peso molecular: 1289.17
• Reaxy-Rn: 4652093
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4652093&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Oxanes Organosulfonic acid esters Sulfonyls Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Oligosaccharide - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Oxane - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Alcohol - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• 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

• Sensibilidad: Heat sensitive
• Rotación específica [α]: 139° (C=4,DMSO)
• Peso molecular: 1289.200 g/mol
• XLogP3: -13.000
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 37
• Rotatable Bond Count: 10
• Exact Mass: 1288.38 Da
• Monoisotopic Mass: 1288.38 Da
• Topological Polar Surface Area: 586.000 Ų
• Heavy Atom Count: 87
• Formal Charge: 0
• Complexity: 2260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 35
• 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

Referencias

1. Zhaolei Zhang, Fengyan Fang, Pingping Zhang, Xiaokang Zhang, Hongchao Ma, Yanhui Wei.  (2024)  Synergistic effect of inner filtering effect and host-guest interaction based on β-cyclodextrin fluorophore for promoted 4-nitrophenol detection.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.134087]