PRN
Summary
| Name: | PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE |
| Formula: | C10 H13 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 316.207 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1cncnc12)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cncnc23 |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13N4O6P/c15-7-1-9(20-8(7)3-19-21(16,17)18)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15H,1,3H2,(H2,16,17,18)/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | OQIJGDJDESHELC-DJLDLDEBSA-N |
