1. Primary Information
| English name: | Inosine-5'-triphosphate trisodium salt |
| CAS No.: | 35908-31-7 |
| Molecular formula: | C10H12N4NA3O14P3 |
| Molecular weight: | 574.11 g/mol |
| SMILES: | C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | 高纯，90% | 88 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 高纯，90% | 280 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 高纯，90% | 920 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
trisodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
4.2 InChI
InChI=1S/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
4.3 InChIKey
QRGLCGLOQVQVCS-MSQVLRTGSA-K
4.4 Canonical SMILES
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]
