CX2
Summary
| Name: | 2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine |
| Formula: | C11 H19 N4 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 366.331 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-N-(2-sulfanylethyl)phosphonamidic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=P(O)(OCC2OC(N1C(=O)N=C(N)C=C1)CC2O)NCCS |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)NCCS)O2 |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)NCCS)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(NCCS)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19N4O6PS/c12-9-1-3-15(11(17)14-9)10-5-7(16)8(21-10)6-20-22(18,19)13-2-4-23/h1,3,7-8,10,16,23H,2,4-6H2,(H2,12,14,17)(H2,13,18,19)/t7-,8+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | UBFVQIIQWMOGNR-QXFUBDJGSA-N |
