 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C27H52O12 |
| Molecular Weight | 568.694590568542 |
| Exact Mass | 568.345 |
| CAS # | 1257853-32-9 |
| PubChem CID | 76871951 |
| Appearance | White to off-white solid powder |
| LogP | 1.9 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 39 |
| Complexity | 600 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)(CCCCCC)CCCCCC |
| InChi Key | TYXCLOLHZMMLEK-RNDJEAJNSA-N |
| InChi Code | InChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1 |
| Chemical Name | (2S,3S,4R,5R,6S)-2-[2-hexyl-2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]octoxy]-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 |
| 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 | Thermotoga maritima (TmPPase) crystal quality was significantly improved by switching to Octyl glucose neopentyl glycol, a neopentyl glycol detergent, as the final step[1]. |
| References |
[1]. Crystallization and preliminary X-ray analysis of membrane-bound pyrophosphatases. Mol Membr Biol. 2013 Feb;30(1):64-74. [2]. New Malonate-Derived Tetraglucoside Detergents for Membrane Protein Stability. ACS Chem Biol. 2020 Jun 19;15(6):1697-1707. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 250 mg/mL (439.61 mM) H2O: 100 mg/mL (175.84 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (10.99 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 62.5 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: ≥ 6.25 mg/mL (10.99 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 62.5 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: ≥ 6.25 mg/mL (10.99 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 62.5 mg/mL clear DMSO stock solution to 900 μL corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (175.84 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 | 1.7584 mL | 8.7921 mL | 17.5843 mL | |
| 5 mM | 0.3517 mL | 1.7584 mL | 3.5169 mL | |
| 10 mM | 0.1758 mL | 0.8792 mL | 1.7584 mL |