RDG
Summary
| Name: | 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate) |
| Synonyms: | N2-furfuryl-deoxyguanosine-5'-monophosphate |
| Formula: | C15 H18 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 427.306 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-5-[2-(furan-2-ylmethylamino)-6-oxidanylidene-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC4OC(n3cnc2c3N=C(NCc1occc1)NC2=O)CC4O |
| InChI | InChI | 1.03 | InChI=1S/C15H18N5O8P/c21-9-4-11(28-10(9)6-27-29(23,24)25)20-7-17-12-13(20)18-15(19-14(12)22)16-5-8-2-1-3-26-8/h1-3,7,9-11,21H,4-6H2,(H2,23,24,25)(H2,16,18,19,22)/t9-,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | DBFJIGOYTNZKTK-HBNTYKKESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4 |
| SMILES | CACTVS | 3.370 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2 |
