1FC
Summary
| Name: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid |
| Formula: | C10 H13 F N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 369.197 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-1-[(2R,3S,4R,5R)-3-fluoranyl-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxidanylidene-pyrimidine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2F)COP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13FN3O9P/c11-5-6(15)4(2-22-24(19,20)21)23-8(5)14-1-3(9(16)17)7(12)13-10(14)18/h1,4-6,8,15H,2H2,(H,16,17)(H2,12,13,18)(H2,19,20,21)/t4-,5+,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | RSWNDZRKHUVSHC-BYPJNBLXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(C=C1C(O)=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2F |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)N(C=C1C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)F)N)C(=O)O |
