8FG
Summary
| Name: | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-ACETYLAMINOFLUORENE |
| Formula: | C25 H25 N6 O8 P |
| Formal charge: | 0 |
| Formula weight: | 568.475 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8-[acetyl(9H-fluoren-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-[2-amino-8-(ethanoyl-(9H-fluoren-2-yl)amino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)N(c6ccc5c4ccccc4Cc5c6)C(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(=Nc5n4[C@H]6C[C@H](O)[C@@H](CO[P](O)(O)=O)O6)N |
| SMILES | CACTVS | 3.341 | CC(=O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(=Nc5n4[CH]6C[CH](O)[CH](CO[P](O)(O)=O)O6)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N |
| InChI | InChI | 1.03 | InChI=1S/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m0/s1 |
| InChIKey | InChI | 1.03 | NDOGYHUMWQPHFA-XUVXKRRUSA-N |
