Basic information
- CAS
51166-71-3- Standard SMILES
COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](OC)[C@@H](O[C@H]4[C@H](O)[C@@H](OC)[C@@H](O[C@H]5[C@H](O)[C@@H](OC)[C@@H](O[C@H]6[C@H](O)[C@@H](OC)[C@@H](O[C@H]7[C@H](O)[C@@H](OC)[C@@H](O[C@H]8[C@H](O)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC- InChIKey
QGKBSGBYSPTPKJ-UZMKXNTCSA-N- Molecular formula
- C56H98O35
- Average molar mass
- 1,331.4 g/mol
- Monoisotopic mass
- 1,330.58886484
Overview
stimulant for Bordetella pertussis Phase I
Names & identifiers
- Preferred name
- Di-O-methyl-beta-cyclodextrin
- IUPAC
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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-36,38,40,42,44,46,48-heptol
- English name
- 2,6-DI-O-METHYL-BETA-CYCLODEXTRIN
- Molecular formula
- C56H98O35
- Molecular weight
- 1331.36
Names & synonyms
51166-71-3Heptakis(2,6-di-O-methyl)-beta-cyclodextrinDM-beta-CyDDimethyl-beta-cyclodextrin5FJP73E35OMEDCD cpdDi-O-methyl-beta-cyclodextrinDM-beta-CDHKDBC2,6-beta-O-dimethylcyclodextrinheptakis(2,6-O-dimethyl)beta-cyclodextrinDTXSID501311203
Show more names
DM-β-CD2,6-Dimethyl-β-cyclodextrin2,6-Dimethyl-Beta-CyclodextrinHeptakis(2,6-di-O-Methyl)-β-CyclodextrinDIMEB(DMβCD)35%（DS~14）35% (DS~14)2,6-Di-O-methyl-
beta-Cyclodextrin, 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-tetradeca-O-methyl-GlyTouCan:G25325QFDMbeta-CydRefChem:919985DTXCID501741026G25325QF2,6-Di-O-methyl-beta-cyclodextrin2,6-Di-O-methyl-|A-cyclodextrin
Database identifiers
Properties
Computed structural properties
- XLogP
- -7.5
- Topological polar surface area
- 400 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 21
- Heavy atoms
- 91
- Formal charge
- 0
- Complexity
- 1,690
Physicochemical properties
- Melting point
- 298 · 298-310 °C
- Boiling point
- 1203.6 · 1203.6±65.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- refractive index
- 163 ° · 163 ° (C=1, H2O)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: soluble
- form
- Crystalline Powder
- pka
- 11.63 · 11.63±0.70(Predicted)
- color
- White to faintly yellow
- biological source
- synthetic
- optical activity
- 20 · [α]20/D +158±3°, c = 10% in H2O
- Water Solubility
- 212.6 g/L · 212.6g/L(cold water)
- BRN
- 1679144 · 1679144
- InChIKey
- QGKBSGBYSPTPKJ-UZMKXNTCSA-N
- CAS DataBase Reference
- 51166 · 51166-71-3
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- GU2293500
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesInduces the release of cholesterol from cholesterol-rich lipid rafts located on the surface of cells, making it a good agent for removing cholesterol from processed foods
UsesReactant involved in:Physicochemical studies of inclusion complexesProbing diffusion and single molecule interactions with reconstituted membrane proteinsInteractions with micelles causing micellar ruptureStudying cellular transport, used as a cell penetration enhancerPhysicochemical and biopharmaceutical improvement of drugs particularly with solubilization and stabilityInteractions with cholesterol
General DescriptionHeptakis(2,6-di-O-methyl)-β-cyclodextrin is a hydrophilic derivative of cyclodextrin that possesses the ability to effectively dissolve lipophilic drugs like steroid hormones, vitamins A, E, and K, etc. It can be utilized to increase the dissolution and bioavailability of weakly water-soluble pharmaceutical compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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