1F-Fructofuranosylnystose
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Basic information
- CAS
59432-60-9- Standard SMILES
OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O- InChIKey
QNTKVQQLMHZOKP-NEJDVEAASA-N- Molecular formula
- C30H52O26
- Average molar mass
- 828.7 g/mol
- Monoisotopic mass
- 828.27468176
Overview
fructosylnystose has been reported in Saussurea costus and Allium cepa with data available.
Names & identifiers
- Preferred name
- 1F-Fructofuranosylnystose
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,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]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 1F-fructofuranosylnystose
- Molecular formula
- C30H52O26
- Molecular weight
- 828.72
Names & synonyms
1F-Fructofuranosylnystose59432-60-9Fructosylnystose0V2S93VI5JRefChem:397528GlyTouCan:G14615XYG14615XY1,1,1-kestopentaoseFRUCTOFURANOSYL NYSTOSE(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,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]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL21219518AKOS037515275
Show more names
GF4Eltrombopag Impurity 701-fructofuranosylnystose1F-fructofuranosylnyslose1,1,1-Kestopentaose - 40mgFructo-oligosaccharide DP5/GF41F-fructofuranosylnystose USP/EP/BP1F-fructofuranosylnystose (Standard)
E78580Q27237281Hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl hexopyranosideUNII-0V2S93VI5J(2R,3R,4S,5S,6R)-2-((2S,3S,4S,5R)-2-(((2R,3S,4S,5R)-2-(((2R,3S,4S,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)oxymethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxymethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolfructofuranosylnystoseFRUCTOSYL NYSTOSE1F-fruetofuranosylnystose
Properties
Computed structural propertiesFilling in
- XLogP
- -9.2
- Topological polar surface area
- 427 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 17
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,270
Physicochemical properties
- Boiling point
- 1227.3 · 1227.3±65.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- solubility
- DMF: slightly soluble; DMSO: slightly soluble; PBS (pH 7.2): 10 mg/ml
- form
- A solid
- pka
- 12.76 · 12.76±0.70(Predicted)
- color
- White to off-white
- Stability
- Hygroscopic
- FDA UNII
- 0 V2S93VI5J · 0V2S93VI5J
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400-H410
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P330-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: .alpha.-D-Glucopyranoside, O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-.beta.-D-fructofuranosyl
Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-O-.beta.-D-fructofuranosyl-(2.fwdarw.1)-.beta.-D-fructofuranosyl: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H400-H410
- Precautionary statements
- P264-P270-P273-P301+P312-P330-P391-P501
Chemistry & industry
Applications
Uses1,1,1-Kestopentaose is a fructan found in the taproot of Cichorium intybus and are degraded by fructan exohydrolases. 1,1,1-Kestopentaose is biologically produced from inulin by yeast.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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