MGV
Summary
| Name: | P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE |
| Formula: | C17 H20 F N5 O8 P |
| Formal charge: | 1 |
| Formula weight: | 472.342 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(4-fluorobenzyl)guanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-[2-amino-7-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-7-ium-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1ccc(cc1)C[n+]3c2c(N=C(N)NC2=O)n(c3)C4OC(C(O)C4O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(c[n+](Cc3ccc(F)cc3)c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(c[n+](Cc3ccc(F)cc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/p+1/t10-,12-,13-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | VLABRVWLURSKLS-XNIJJKJLSA-O |
