8OS
Summary
| Name: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine |
| Formula: | C14 H18 N7 O7 P |
| Formal charge: | 0 |
| Formula weight: | 427.309 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine |
| OpenEye OEToolkits | 2.0.6 | [(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-(4-methyl-1~{H}-imidazol-5-yl)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(N)=Nc2c1ncn2C3OC(C(C3O)O)COP(c4ncnc4C)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)/t6-,8-,9-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | MUFMHNGPMISZRD-HTVVRFAVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc[nH]c1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N |
| SMILES | CACTVS | 3.385 | Cc1nc[nH]c1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c([nH]cn1)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 | Cc1c([nH]cn1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O |
