5CG
Summary
| Name: | 5'-CHLORO-5'-DEOXY-GUANOSINE |
| Formula: | C10 H12 Cl N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 301.686 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-chloro-5'-deoxyguanosine |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-[(2R,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CCl |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CCl)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3C(C(C(O3)CCl)O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | YBIZLKQGKRXLAZ-UUOKFMHZSA-N |
