TPC
Summary
| Name: | 5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID |
| Formula: | C9 H14 N3 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 323.263 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-S-phosphono-5'-thiocytidine |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methylsulfanylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CS[P](O)(O)=O)O2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CS[P](O)(O)=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | MECRPJIAIGIPSF-SHYZEUOFSA-N |
