7DA
Summary
| Name: | 7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE |
| Formula: | C11 H15 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 330.234 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2ccc1c(ncnc12)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(ccc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cn(c2c1c(ncn2)N)C3CC(C(O3)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N4O6P/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | JNMXDKIIPORENX-DJLDLDEBSA-N |
