Physicochemical Properties
| Molecular Formula | C17H18NA2O11S |
| Molecular Weight | 476.362766742706 |
| Exact Mass | 476.036 |
| CAS # | 1085703-32-7 |
| PubChem CID | 134128284 |
| Appearance | Typically exists as solid at room temperature |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 31 |
| Complexity | 693 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.[Na].[Na] |
| InChi Key | RXNIARIYWPFYPK-NFAFUWKUSA-N |
| InChi Code | InChI=1S/C11H10O5S.C6H8O6.2Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2-5H,6H2,1H3,(H,14,15,16);2,5,7-10H,1H2;;/t;2-,5+;;/m.0../s1 |
| 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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
| References |
[1]. Inhibitory effect of vitamin C in combination with vitamin K3 on tumor growth and metastasis of Lewis lung carcinoma xenografted in C57BL/6 mice. Nutr Cancer. 2011;63(7):1036-43. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~10 mg/mL (~21.08 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.11 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (2.11 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 10.0 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: ≥ 1 mg/mL (2.11 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 10.0 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 | 2.0993 mL | 10.4963 mL | 20.9925 mL | |
| 5 mM | 0.4199 mL | 2.0993 mL | 4.1985 mL | |
| 10 mM | 0.2099 mL | 1.0496 mL | 2.0993 mL |