Physicochemical Properties
| Molecular Formula | C9H14N3NA2O14P3 |
| Molecular Weight | 527.12 |
| Exact Mass | 526.948 |
| CAS # | 36051-68-0 |
| Related CAS # | Cytidine-5'-triphosphate;65-47-4 |
| PubChem CID | 53384495 |
| Appearance | White to off-white solid powder |
| Density | 2.5g/cm3 |
| Boiling Point | 849.2ºC at 760 mmHg |
| Flash Point | 467.4ºC |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 31 |
| Complexity | 838 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O.[Na+].[Na+] |
| InChi Key | NFQMDTRPCFJJND-WFIJOQBCSA-L |
| InChi Code | InChI=1S/C9H16N3O14P3.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1 |
| Chemical Name | disodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphono 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 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
| Targets | Human Endogenous Metabolite |
Solubility Data
| Solubility (In Vitro) |
H2O :~125 mg/mL (~237.14 mM) DMSO :< 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (189.71 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 | 1.8971 mL | 9.4855 mL | 18.9710 mL | |
| 5 mM | 0.3794 mL | 1.8971 mL | 3.7942 mL | |
| 10 mM | 0.1897 mL | 0.9486 mL | 1.8971 mL |