Summary
| Name: | N6-METHYL DEOXYADENOSINE 5'-MONOPHOSPHATE |
| Formula: | C11 H16 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 345.248 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O |
| InChI | InChI | 1.02b | InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H |
| InChIKey | InChI | 1.02b | MGKYNCZAQIZDCV-KRXJAMNADT |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.341 | CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
