Physicochemical Properties
| Molecular Formula | C18H32O16 |
| Molecular Weight | 504.4371 |
| Exact Mass | 504.169 |
| CAS # | 470-69-9 |
| PubChem CID | 440080 |
| Appearance | White to off-white solid powder |
| Density | 1.82g/cm3 |
| Boiling Point | 902.9ºC at 760mmHg |
| Flash Point | 499.9ºC |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.679 |
| LogP | -5.5 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 34 |
| Complexity | 670 |
| Defined Atom Stereocenter Count | 13 |
| 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)O)O)O)O |
| InChi Key | VAWYEUIPHLMNNF-OESPXIITSA-N |
| InChi Code | InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1 |
| Chemical Name | (2R,3R,4S,5S,6R)-2-[(2S,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]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| ln Vitro | Faecalibacterium prausnitzii is an anti-inflammatory commensal bacterium discovered during Crohn's disease gut microbiota study. Bifidobacteria are useful for atopic dermatitis (AD) [1]. |
| References |
[1]. 1-Kestose, the Smallest Fructooligosaccharide Component, Which Efficiently Stimulates Faecalibacterium prausnitzii as Well as Bifidobacteria in Humans. Foods. 2018 Sep 1;7(9). pii: E140. [2]. 1-Kestose, the Smallest Fructooligosaccharide Component, Which Efficiently Stimulates Faecalibacterium prausnitzii as Well as Bifidobacteria in Humans. Foods. 2018 Sep 1;7(9):140. |
| Additional Infomation |
1-kestose is a trisaccharide found in vegetables consisting of beta-D-fructofuranose having beta-D-fructofuranosyl and alpha-D-glucopyranosyl residues attached at the 1- and 2-positions respectively. 1-Kestose has been reported in Arctium umbrosum, Daphnia pulex, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~198.24 mM) H2O : ~83.33 mg/mL (~165.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.96 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.96 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.96 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (198.24 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9824 mL | 9.9120 mL | 19.8240 mL | |
| 5 mM | 0.3965 mL | 1.9824 mL | 3.9648 mL | |
| 10 mM | 0.1982 mL | 0.9912 mL | 1.9824 mL |