B9B
Summary
| Name: | 6-propyl, guanosine-5'-monophosphate |
| Formula: | C13 H20 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 405.3 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-propoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N5O8P/c1-2-3-24-11-7-10(16-13(14)17-11)18(5-15-7)12-9(20)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H2,14,16,17)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | BEBGGMIXLKQJTH-WOUKDFQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | CCCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCOc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O |
