GlyTouCan:G40317WE
Basic information
- CAS
470-69-9- Standard SMILES
OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1O- InChIKey
VAWYEUIPHLMNNF-CMCDSJAFSA-N- Molecular formula
- C18H32O16
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 504.16903493
Overview
See also: 1-Kestose (annotation moved to).
Names & identifiers
- Preferred name
- GlyTouCan:G40317WE
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S,3S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 1-Kestose
- Molecular formula
- C18H32O16
- Molecular weight
- 504.44
Names & synonyms
RefChem:711864GlyTouCan:G40317WEG40317WEKestose, 1-SCHEMBL16144815DTXSID10963718A3CDA545-6C0C-4F19-BC4A-A8D3E4A81FCDbeta-D-fructofuranosyl-(2->1)-(4xi)-beta-D-threo-hex-2-ulofuranosyl alpha-D-glucopyranosideKestoseGF 21-Ketose1-Kestose
Show more names
1-Kestose>1-Kestotriose1-Kestose ,>=98%1-Kestose - 100mg1-Fructosylsucrose1F-Fructosylsucrose
Database identifiers
- CAS
470-69-9- PubChem CID
- 160469
- DTXSID
DTXSID10963718
Properties
Computed structural properties
- XLogP
- -5.5
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 902.9 · 902.9±65.0 °C(Predicted)
- alpha
- 20 · [α]D20 +28～+32° (c=5, H2O)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly, Heated), Water (Sparingly)
- pka
- 12.76 · 12.76±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- HUMECTANT
- InChIKey
- VAWYEUIPHLMNNF-OESPXIITSA-N
- SMILES
- OC[C@H]1O[C@H](O[C@]3(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
- FDA UNII
- 2 LN7O412C · 02LN7O412C
- UNSPSC Code
- 85151701 · 85151701
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- 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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-Kestose is a fructooligosaccharide with prebiotic properties which displays antihyperglycemic activity suggesting that it may be used in treating diabetes.
Additional notes
DefinitionChEBI: A trisaccharide found in vegetables consisting of beta-D-fructofuranose having beta-D-fructofuranosyl and alpha-D-glucopyranosyl residues attached at the - and 2-positions respectively.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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