CMR
Summary
| Name: | 2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE |
| Formula: | C10 H16 N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 305.224 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=NC2=O)N |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)N2C=CC(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N3O6P/c1-20(16,17)18-5-7-6(14)4-9(19-7)13-3-2-8(11)12-10(13)15/h2-3,6-7,9,14H,4-5H2,1H3,(H,16,17)(H2,11,12,15)/t6-,7+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | HGVVWCDXVSXKJT-LKEWCRSYSA-N |
