TFO
Summary
| Name: | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID |
| Synonyms: | TENOFOVIR |
| Formula: | C9 H14 N5 O4 P |
| Formal charge: | 0 |
| Formula weight: | 287.212 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)COC(C)Cn1c2ncnc(c2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | SGOIRFVFHAKUTI-ZCFIWIBFSA-N |
