M5M
Summary
| Name: | 2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHOSPHATE |
| Formula: | C11 H17 N4 O8 P |
| Formal charge: | 0 |
| Formula weight: | 364.248 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-(acetylamino)-2'-deoxycytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-4-acetamido-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2NC(=O)C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N4O8P/c1-5(16)13-8-9(17)6(4-22-24(19,20)21)23-10(8)15-3-2-7(12)14-11(15)18/h2-3,6,8-10,17H,4H2,1H3,(H,13,16)(H2,12,14,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | WPJHNTZXIXFENS-PEBGCTIMSA-N |
