A40
Summary
| Name: | N2-METHYL 2'-DEOXYADENOSINE 5'-MONOPHOSPHATE |
| Formula: | C11 H17 N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 360.263 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(6-amino-2-methylamino-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1 |
| SMILES | CACTVS | 3.341 | CNc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | CADXCCUKYVHUJO-RRKCRQDMSA-N |
