6A-Azido-6A-deoxy-β-cyclodextrin - ≥85%(HPLC) , CAS No.98169-85-8

CAS: 98169-85-8 Cat. No.: A151547 Formula: C₄₂H₆₉N₃O₃₄ Molecular Weight: 1160.00

GRADE & PURITY ≥85%(HPLC)

Synonyms

A901278 | 6-Deoxy-6-azido-beta-cyclodextrin | 6A-Azido-6A-deoxy-beta-cyclodextrin | MFCD05864973 | DTXSID801305360 | D88545 | Mono-6-azido-6-deoxy-beta-cyclodextrin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A901278 | 6-Deoxy-6-azido-beta-cyclodextrin | 6A-Azido-6A-deoxy-beta-cyclodextrin | MFCD05864973 | DTXSID801305360 | D88545 | Mono-6-azido-6-deoxy-beta-cyclodextrin

Specifications & Purity

≥85%(HPLC)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥85%(HPLC)

Names and Identifiers

Pubchem Sid

488197205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197205

Canonical Smiles

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)N=[N+]=[N-]

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-(azidomethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

InChIKey

CNXCXSMYMLPAMS-FOUAGVGXSA-N

INCHI

1S/C42H69N3O34/c43-45-44-1-8-29-15(52)22(59)36(66-8)74-30-9(2-46)68-38(24(61)17(30)54)76-32-11(4-48)70-40(26(63)19(32)56)78-34-13(6-50)72-42(28(65)21(34)58)79-35-14(7-51)71-41(27(64)20(35)57)77-33-12(5-49)69-39(25(62)18(33)55)75-31-10(3-47)67-37(73-29)23(60)16(31)53/h8-42,46-65H,1-7H2/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

Isomeric 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)N=[N+]=[N-]

Molecular Weight

1160.00

Reaxy-Rn

10788737

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10788737&ln=

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: Oxanes Secondary alcohols Azo imides Azo compounds Polyols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oligosaccharide - Oxane - Azo compound - Azo imide - Secondary alcohol - Acetal - Oxacycle - Polyol - Organoheterocyclic compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary alcohol - Organic nitrogen compound - Organic zwitterion - Organic salt - Aliphatic 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

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

Chemical and Physical Properties

• Sensitivity: heat sensitive；air sensitive
• Melt Point(°C): 206°C(dec.)(lit.)
• Molecular Weight: 1160.000 g/mol
• XLogP3: -13.400
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 8
• Exact Mass: 1159.38 Da
• Monoisotopic Mass: 1159.38 Da
• Topological Polar Surface Area: 548.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 1980.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥85% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98169-85-8, the molecular formula is C42H69N3O34, and the molecular weight is 1160.00 g/mol. InChIKey CNXCXSMYMLPAMS-FOUAGVGXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.