7-Cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
Basic information
- CAS
349477-49-2- Standard SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
BEKAVONQUWHNMM-IYBATYGCSA-N- Molecular formula
- C25H46O11
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.30401228
Names & identifiers
- Preferred name
- 7-Cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- CYMAL-7 SOL GRADE
- Molecular formula
- C25H46O11
- Molecular weight
- 522.63
Names & synonyms
349477-49-27-Cyclohexylheptyl 4-O-Alpha-D-Glucopyranosyl-Beta-D-GlucopyranosideDTXSID00469552RefChem:310704DTXCID50420370CYMAL-7 SOL GRADE7-Cyclohexylheptyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside7-Cyclohexylheptyl beta-D-Maltoside(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol7-Cyclohexyl-1-Heptyl-|A-D-Maltoside7-Cyclohexylheptyl b-D-maltoside(2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-6-((7-Cyclohexylheptyl)oxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Show more names
7-Cyclohexylheptyl β-D-Maltoside7-Cyclohexyl-1-Heptyl-β-D-Maltosideβ-D-Glucopyranoside, 7-cyclohexylheptyl 4-O-α-D-glucopyranosyl-
CA7Q27458707(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(7-CYCLOHEXYLHEPTYL)OXY]-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL7-Cyclohexylheptyl ?-D-maltoside7-Cyclohexylheptyl |A-D-maltosideC25H46O117-Cyclohexyl-1-Heptyl-b-D-MaltosideDC06148
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 728.388 · 728.388±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.327 · 1.327±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.82 · 12.820±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
Uses7-Cyclohexylheptyl β-D-maltoside (CAS# 349477-49-2) is an oligiosaccharide used as a detergent for the purification of stable, active human cystic fibrosis transmembrane conductance regulators (CFTRs).
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Compound notes
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