Physicochemical Properties
| Molecular Formula | C9H12N3NA3O10P2 |
| Molecular Weight | 453.12 |
| Exact Mass | 409.005 |
| CAS # | 151151-32-5 |
| PubChem CID | 71315445 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 27 |
| Complexity | 640 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+] |
| InChi Key | SXMDNHAPEVRFNF-MILVPLDLSA-K |
| InChi Code | InChI=1S/C9H15N3O10P2.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1 |
| Chemical Name | trisodium;[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate |
| 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
Solubility Data
| Solubility (In Vitro) | H2O: 250 mg/mL (551.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (220.69 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 | 2.2069 mL | 11.0346 mL | 22.0692 mL | |
| 5 mM | 0.4414 mL | 2.2069 mL | 4.4138 mL | |
| 10 mM | 0.2207 mL | 1.1035 mL | 2.2069 mL |