DUS
Summary
| Name: | 2'-deoxy-5'-O-sulfouridine |
| Synonyms: | 2'-deoxyuridine-5'-monosulfate |
| Formula: | C9 H12 N2 O8 S |
| Formal charge: | 0 |
| Formula weight: | 308.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-5'-O-sulfouridine |
| OpenEye OEToolkits | 2.0.4 | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(OCC1C(O)CC(O1)N2C=CC(=O)NC2=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O8S/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | NVGOTALEIZLWEI-SHYZEUOFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[S](O)(=O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[S](O)(=O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1C(C(OC1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O |
