BOE
Summary
| Name: | 2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE |
| Formula: | C19 H25 N2 O10 P |
| Formal charge: | 0 |
| Formula weight: | 472.383 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-O-[2-(benzyloxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-4-(2-phenylmethoxyethoxy)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2ccccc2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCOCc3ccccc3)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCOCc3ccccc3)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H25N2O10P/c1-12-9-21(19(24)20-17(12)23)18-16(15(22)14(31-18)11-30-32(25,26)27)29-8-7-28-10-13-5-3-2-4-6-13/h2-6,9,14-16,18,22H,7-8,10-11H2,1H3,(H,20,23,24)(H2,25,26,27)/t14-,15-,16-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | LZEOXHFYJVFRES-YFHUEUNASA-N |
