beta-Cyclodextrin hydrate - ≥98% , CAS No.68168-23-0

CAS: 68168-23-0 Cat. No.: B665398 分子式: C₄₂H₇₀O₃₅ · xH₂O 分子量: 1134.98 (anhydrous basis) PubChem CID: 53486154

グレード＆純度 ≥98%

Synonyms

β-Schardinger dextrin hydrate|Schardinger β-Dextrin hydrate|Schardinger beta-dextrin hydrate|Cycloheptaamylose hydrate

Storage

Room temperature

Shipped In

Normal

概要

β-cyclodextrin (β-CD), a well-known macrocyclic oligosaccharide member of the CD family, is composed of seven D-glucose units connected via α(1→4) glycosidic bonds. Its ability to form several inclusion complexes with organic as well as inorganic compounds makes it a potential candidate in solid and solution state determinations.

仕様

同義語

β-Schardinger dextrin hydrate | Schardinger β-Dextrin hydrate | Schardinger beta-dextrin hydrate | Cycloheptaamylose hydrate

仕様と純度

≥98%

申し込み

β-Cyclodextrin hydrate may be used: To form an inclusion complex with norfloxacin for subsequent analysis using high performance liquid chromatography (HPLC). As a precursor of heptakis-(2,3-diacetyl-6-sulfato)-β-cyclodextrin for use as a chiral selector

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

528768656

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528768656

カノニカル・スマイル

C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)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)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;hydrate

InChIKey

JNSAKCOAFBFODP-ZQOBQRRWSA-N

INCHI

1S/C42H70O35.H2O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;/h8-63H,1-7H2;1H2/t8-,9-,10-,11-,12-,13-,14-,15-,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-;/m1./s1

異性体SMILES

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)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](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O

PubChem CID

53486154

分子量

1134.98 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oligosaccharide - Oxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Slightly soluble in water (18.5 g/L at 25°C).
• 融点（°C）: 288° dec.
• 分子量: 1153.000 g/mol
• Hydrogen Bond Donor Count: 22
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 7
• Exact Mass: 1152.38 Da
• Monoisotopic Mass: 1152.38 Da
• Topological Polar Surface Area: 555.000 Ų
• Heavy Atom Count: 78
• Formal Charge: 0
• Complexity: 1480.000
• 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: 2

XLogP3