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Mono-2-O-(p-toluenesulfonyl)-β-cyclodextrin Hydrate - >97.0%(HPLC), high purity , CAS No.84216-71-7

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 84216-71-7
Molecular Weight: 1289.17
PubChem CID: 11829278

In stock

Item Number

M158311

Grouped product items
SKU	Size	Availability	Price
M158311-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90
M158311-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
M158311-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90

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Chelate / complex (112) Element classified compounds (2014)

Basic Description

Synonyms	Mono-2-O-(p-toluenesulfonyl)-beta-cyclodextrin Hydrate \| HY-W145627 \| 84216-71-7 (name error) \| T72984 \| M1741 \| DTXSID60473938 \| Mono-2-O-(p-toluenesulfonyl)-beta-cyclodextrin
Specifications & Purity	≥97%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	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
Description	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
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

Names and Identifiers

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,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(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-41-yl] 4-methylbenzenesulfonate
INCHI	InChI=1S/C49H76O37S/c1-13-2-4-14(5-3-13)87(70,71)86-42-34(69)41-21(12-56)78-49(42)85-40-20(11-55)77-47(33(68)27(40)62)83-38-18(9-53)75-45(31(66)25(38)60)81-36-16(7-51)73-43(29(64)23(36)58)79-35-15(6-50)72-44(28(63)22(35)57)80-37-17(8-52)74-46(30(65)24(37)59)82-39-19(10-54)76-48(84-41)32(67)26(39)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
InChIKey	VGZWDYWXWGKKEE-UJPGXMRNSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OC2C(C3C(OC2OC4C(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)CO)O
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@H]3[C@H](O[C@@H]2O[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)CO)O
PubChem CID	11829278
Molecular Weight	1289.17
Reaxy-Rn	3534923

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	127.5° (C=4,DMSO)
Molecular Weight	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 Å²
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

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