G48
Summary
| Name: | 2'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE |
| Formula: | C13 H20 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 421.3 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-(2-methoxyethoxy)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(OCCOC)C3O |
| InChI | InChI | 1.03 | InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-8(19)6(4-26-28(21,22)23)27-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | XPQHQKCWTLHVLZ-WOUKDFQISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N |
| SMILES | CACTVS | 3.370 | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCCOC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O |
