C43
Summary
| Name: | 2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE |
| Formula: | C12 H20 N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 381.276 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-O-(2-methoxyethyl)cytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(2-methoxyethoxy)-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)N=C(N)C=C1)C(OCCOC)C2O |
| InChI | InChI | 1.03 | InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | XQYCHAUACFLMBW-QCNRFFRDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N |
| SMILES | CACTVS | 3.370 | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCCOC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
