A2L
Summary
| Name: | 3'-O-METHYOXYETHYL-ADENOSINE 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 |
| ACDLabs | 10.04 | 3'-O-(2-methoxyethyl)adenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OCCOC |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCO[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COCCOC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H20N5O8P/c1-23-2-3-24-10-7(4-25-27(20,21)22)26-13(9(10)19)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | LISGIEGLNMXMPT-QYVSTXNMSA-N |
