FNU
Summary
| Name: | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) |
| Formula: | C9 H13 F N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 357.186 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4R,5R)-5-(6-azanyl-5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(F)=C1N)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=C(F)C(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.370 | NC1=C(F)C(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13FN3O9P/c10-3-6(11)13(9(17)12-7(3)16)8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,11H2,(H,12,16,17)(H2,18,19,20)/t2-,4-,5-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | OLBMCLUPWOAIRA-UMMCILCDSA-N |
