Summary
| Name: | N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate) |
| Formula: | C11 H18 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 351.25 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,5R)-4-methoxy-5-[4-(methylamino)-2-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)N=C(NC)C=C1)C(OC)C2O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | GPJNLASIBKTFTM-PEBGCTIMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OC |
| SMILES | CACTVS | 3.370 | CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC |
