Physicochemical Properties
| Molecular Formula | C6H12O6 |
| Molecular Weight | 180.16 |
| Exact Mass | 180.063 |
| CAS # | 87-81-0 |
| Related CAS # | D-Tagatose-13C;478506-42-2;D-Tagatose-13C-1;478506-44-4 |
| PubChem CID | 2724552 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 551.7±50.0 °C at 760 mmHg |
| Melting Point | 130-136ºC |
| Flash Point | 301.5±26.6 °C |
| Vapour Pressure | 0.0±3.4 mmHg at 25°C |
| Index of Refraction | 1.574 |
| LogP | -1.63 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 12 |
| Complexity | 162 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O |
| InChi Key | LKDRXBCSQODPBY-VANKVMQKSA-N |
| InChi Code | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1 |
| Chemical Name | (2S,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| 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
| Targets | Human Endogenous Metabolite |
| References |
[1]. Trienzymatic Complex System for Isomerization of Agar-Derived d-Galactose into d-Tagatose as a Low-Calorie Sweetener. J Agric Food Chem. 2020;68(10):3195-3202. |
| Additional Infomation | Alpha-D-tagatopyranose is a D-tagatopyranose with an alpha-configuration at the anomeric center. |
Solubility Data
| Solubility (In Vitro) | DMSO :~100 mg/mL (~555.06 mM ) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (11.55 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 20.8 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: ≥ 2.08 mg/mL (11.55 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 20.8 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: ≥ 2.08 mg/mL (11.55 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.5506 mL | 27.7531 mL | 55.5062 mL | |
| 5 mM | 1.1101 mL | 5.5506 mL | 11.1012 mL | |
| 10 mM | 0.5551 mL | 2.7753 mL | 5.5506 mL |