UMC
Summary
| Name: | 2'-deoxy-5'-uridylic acid |
| Formula: | C9 H15 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 310.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-5'-uridylic acid |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-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)CC1)CC2O |
| InChI | InChI | 1.03 | InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | WQQZADPPRABIFU-SHYZEUOFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O |
