EQ4
Summary
| Name: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine |
| Formula: | C13 H17 N8 O7 P |
| Formal charge: | 0 |
| Formula weight: | 428.297 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine |
| OpenEye OEToolkits | 2.0.6 | (2-azanylimidazol-1-yl)-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(OCC1OC(C(C1O)O)n3c2N=C(NC(c2nc3)=O)N)(O)(=O)n4ccnc4N |
| InChI | InChI | 1.03 | InChI=1S/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | UJFHHYLHXPKINK-IOSLPCCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)n4ccnc4N)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4ccnc4N)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O |
