126
Summary
| Name: | 2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL-URIDINE-5'-MONOPHOSPHATE |
| Formula: | C17 H29 N2 O12 P |
| Formal charge: | 0 |
| Formula weight: | 484.392 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-O-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-3-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCOCCOCCOC)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCOCCOCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | COCCOCCOCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=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)OCCOCCOCCOC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCCOCCOC |
| InChI | InChI | 1.03 | InChI=1S/C17H29N2O12P/c1-11-9-19(17(22)18-15(11)21)16-14(13(20)12(31-16)10-30-32(23,24)25)29-8-7-28-6-5-27-4-3-26-2/h9,12-14,16,20H,3-8,10H2,1-2H3,(H,18,21,22)(H2,23,24,25)/t12-,13-,14-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | ACTYZQFOUQVCOE-IXYNUQLISA-N |
