3ME
Summary
| Name: | 2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) |
| Formula: | C16 H28 N3 O10 P |
| Formal charge: | 0 |
| Formula weight: | 453.381 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R,4R,5R)-4-[2-(2-dimethylaminoethyloxy)ethoxy]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-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)C(=C1)C)C(OCCOCCN(C)C)C2O |
| InChI | InChI | 1.03 | InChI=1S/C16H28N3O10P/c1-10-8-19(16(22)17-14(10)21)15-13(27-7-6-26-5-4-18(2)3)12(20)11(29-15)9-28-30(23,24)25/h8,11-13,15,20H,4-7,9H2,1-3H3,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | ZEPAZACIEWQAFL-RGCMKSIDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCOCCO[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 | 3.370 | CN(C)CCOCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCCN(C)C |
