U7I
Summary
| Name: | 2'-deoxy-2'-fluoro-2'-methyluridine |
| Synonyms: | PSI-6206 |
| Formula: | C10 H13 F N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 260.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-2'-fluoro-2'-methyluridine |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R},3~{R},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-3-methyl-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C1OC(CO)C(O)C1(C)F |
| InChI | InChI | 1.06 | InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | ARKKGZQTGXJVKW-VPCXQMTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | C[C]1(F)[CH](O)[CH](CO)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F |
