C2L
Summary
| Name: | 5-METHYL-3'-O-METHOXYETHYL CYTIDINE 5'-MONOPHOSPHATE |
| Formula: | C13 H22 N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 395.302 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C(=CN1C2OC(C(OCCOC)C2O)COP(=O)(O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCO[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C)C(=NC2=O)N |
| SMILES | CACTVS | 3.341 | COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C)C(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OCCOC)O |
| InChI | InChI | 1.03 | InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-9(17)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | DVYXLKQTQMTZSH-DNRKLUKYSA-N |
