HuagongsheHuagongshe Chemistry Print Report · For research reference only
Thiamine Triphosphate
Thiamine Triphosphate Trioctylamine · C03028 · Thiamine Impurity 38 · Tocopherol Impurity 15 · Rasagiline Impurity 33-13C3 · IWLROWZYZPNOFC-UHFFFAOYSA-N · Thiamine Impurity 49 Monomer · thiamine(1+) triphosphate(1-)
Identifiers & Physical Properties
| CAS No. | 3475-65-8 |
|---|---|
| Molecular formula | C12H20N4O10P3S+ |
| Average molar mass | 505.3 g/mol |
| Monoisotopic mass | 505.01130001 g/mol |
| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
| InChIKey | IWLROWZYZPNOFC-UHFFFAOYSA-O |
| PubChem CID | 511 |
| ChEMBL | CHEMBL3275133 |
| ChEBI | CHEBI:9534 |
Chemical & Physical Properties
| XLogP | -2.3 |
|---|---|
| Topological polar surface area | 244 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 14 |
| Rotatable bonds | 10 |
| Heavy atoms | 30 |
| Formal charge | 1 |
| Complexity | 728 |
| Physical Description | Solid |
| Solubility | Water (Slightly) |
| Physical state | Solid |
| Color | White to Pale Yellow |
| Stability | Hygroscopic, Unstable in Solution |
| FDA UNII | 464M6AQ7IV |
Applications & Uses
Uses
Thiamine Triphosphate is a derivative of Thiamine (T344185) which is a essential nutrient required for carbohydrate metabolism.