Basic information
- CAS
181135-57-9- Standard SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
JRNQXDHDSXBSFV-WXFJLFHKSA-N- Molecular formula
- C22H40O11
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.25706209
Names & identifiers
- Preferred name
- 4-Cyclohexylbutyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(4-cyclohexylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- CYMAL-4
- Molecular formula
- C22H40O11
- Molecular weight
- 480.55
Names & synonyms
181135-57-94-Cyclohexylbutyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranosideDTXSID50470113RefChem:292282DTXCID50420931Cymal-4(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(4-cyclohexylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol4-cyclohexylbutyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosidebeta-D-Glucopyranoside, 4-cyclohexylbutyl 4-O-alpha-D-glucopyranosyl-(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-(4-CYCLOHEXYLBUTOXY)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOLSCHEMBL326842884-Cyclohexylbutyl-beta-D-maltoside
Show more names
4-Cyclohexyl-1-Butyl-β-D-Maltosideβ-D-Glucopyranoside, 4-cyclohexylbutyl 4-O-α-D-glucopyranosyl-
OC05108Q274589784-Cyclohexylbutyl-4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranoside(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(4-cyclohexylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 710 · 710.0±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.70(Predicted)
Chemistry & industry
Suppliers3 total
BOC Sciences16314854226 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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