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| Targets |
1,1,1,1-Kestohexaose is a fructan oligomer used as a reference standard for analytical research. It is a major DP 6 fructan in crested wheatgrass leaves. The compound can be used for analytical method development and method validation. Its primary applications are in quality control and pharmaceutical research. 1,1,1,1-Kestohexaose is a fructan oligomer.
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| ln Vitro |
In vitro, 1,1,1,1-Kestohexaose is used as a reference standard for analytical research and quality control. It is a major DP 6 fructan in crested wheatgrass leaves. The compound is an oligofructose extracted from Poa ampla. It is used for analytical method development and method validation. Its applications include pharmaceutical research.
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| ln Vivo |
In vivo, 1,1,1,1-Kestohexaose is used primarily as a reference standard rather than a therapeutic compound. Its utility in analytical research and quality control has been established. The compound is a major DP 6 fructan in crested wheatgrass leaves. Further in vivo studies are limited as the compound is primarily a reference standard.
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| Enzyme Assay |
In vitro analytical assays for 1,1,1,1-Kestohexaose involve using the compound as a reference standard. The compound is characterized by HPLC, GC, or other analytical methods. For quality control applications, the compound is used to validate analytical methods. Assays are performed in appropriate solvent systems with positive controls.
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| Cell Assay |
Dabcyl acid cell-based assays are limited as the compound is primarily a labeling reagent. The compound is used in molecular beacon probes for detecting nucleic acids in cells. Cells are treated with Dabcyl-labeled probes and fluorescence is measured. Cell viability is assessed by standard assays. Experiments are performed with appropriate positive and negative controls.
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| Animal Protocol |
1,1,1,1-Kestohexaose in vivo studies are limited as the compound is primarily a reference standard. Its utility in analytical research and quality control has been established. The compound is used in pharmaceutical research applications. Studies are conducted in accordance with institutional guidelines for reference standard use.
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| ADME/Pharmacokinetics |
1,1,1,1-Kestohexaose (MW 990.86 g/mol, C36H62O31) has a density of 1.88±0.1 g/cm³ at 20 °C. It is slightly soluble in water (2.8 g/L at 25 °C). The compound is stable under recommended storage conditions. 1,1,1,1-Kestohexaose is a fructan oligomer used as a reference standard. Pharmacokinetic properties are not typically characterized as it is a reference standard.
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| Toxicity/Toxicokinetics |
1,1,1,1-Kestohexaose is generally considered safe as a reference standard. The compound is a fructan oligomer used in analytical research. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
According to reports, 1,1,1,1-ketohexasaccharide has been found in Costus root, and relevant data is available.
1,1,1,1-Kestohexaose is a fructan oligomer isolated from Poa ampla and a major DP 6 fructan in crested wheatgrass leaves. It is used as a reference standard for analytical research, quality control, and pharmaceutical applications. Its molecular formula is C36H62O31 with a molecular weight of 990.86 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C36H62O31
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|---|---|
| Molecular Weight |
990.859
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| Exact Mass |
990.328
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| CAS # |
62512-19-0
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| PubChem CID |
50938612
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| Appearance |
White to off-white solid powder
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| Density |
1.88±0.1 g/cm3
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| Boiling Point |
1359.3±65.0℃ at 760 mmHg
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| LogP |
-11.1
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| Hydrogen Bond Donor Count |
20
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| Hydrogen Bond Acceptor Count |
31
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
67
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| Complexity |
1590
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| Defined Atom Stereocenter Count |
25
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| SMILES |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O
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| InChi Key |
BWRYDXSZCCQXIF-TWMOFSFSSA-N
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| InChi Code |
InChI=1S/C36H62O31/c37-1-12-18(44)24(50)25(51)31(61-12)67-36(30(56)23(49)17(6-42)66-36)11-60-35(29(55)22(48)16(5-41)65-35)10-59-34(28(54)21(47)15(4-40)64-34)9-58-33(27(53)20(46)14(3-39)63-33)8-57-32(7-43)26(52)19(45)13(2-38)62-32/h12-31,37-56H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+/m1/s1
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| Chemical Name |
(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)-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]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O : ~250 mg/mL (~252.31 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (100.92 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.0092 mL | 5.0461 mL | 10.0922 mL | |
| 5 mM | 0.2018 mL | 1.0092 mL | 2.0184 mL | |
| 10 mM | 0.1009 mL | 0.5046 mL | 1.0092 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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