C2S
Summary
| Name: | CYTIDINE-5'-DITHIOPHOSPHORATE |
| Formula: | C9 H14 N3 O5 P S2 |
| Formal charge: | 0 |
| Formula weight: | 339.328 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-O-[(dithiophosphono)]cytidine |
| OpenEye OEToolkits | 1.5.0 | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(S)=S)O2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(S)=S)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)S)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YPTNEFVBJOMHCI-SHYZEUOFSA-N |
