2PR
Summary
| Name: | 2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE |
| Synonyms: | 2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE |
| Formula: | C10 H14 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 331.222 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-aminopurin-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(n2cnc1cnc(nc12)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1 |
| SMILES | CACTVS | 3.341 | Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | XLBUIHNMZIQVTK-XLPZGREQSA-N |
