1. Primary Information
| English name: | 2'-Deoxyadenosine-5'-triphosphate trisodium salt |
| CAS No.: | 54680-12-5 |
| Molecular formula: | C10H13N5NA3O12P3 |
| Molecular weight: | 557.13 g/mol |
| SMILES: | C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=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 | 25mg | 高纯，98% | 360 | -20℃ 氮气保存 | in stock | - |
| Kehua Intelligence | 100mg | 高纯，98% | 960 | -20℃ 氮气保存 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
trisodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
4.2 InChI
InChI=1S/C10H16N5O12P3.3Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;;/q;3*+1/p-3/t5-,6+,7+;;;/m0.../s1
4.3 InChIKey
VEESQMCFNINIMU-PWDLANNDSA-K
4.4 Canonical SMILES
C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
