K2F
Summary
| Name: | 2'-methoxyethyl-adenosine-5'-thiophosphate |
| Synonyms: | (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol |
| Formula: | C13 H20 N5 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 421.366 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H20N5O7PS/c1-22-2-3-23-10-9(19)7(4-24-26(20,21)27)25-13(10)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)(H2,20,21,27)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | ZQSIUNNJVQJWJZ-QYVSTXNMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]1n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=S)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCOC1C(C(OC1n2cnc3c2ncnc3N)COP(=S)(O)O)O |
