EMA
Summary
| Name: | (ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE |
| Synonyms: | 9-(2-PHOSPHONYLMETHOXYETHYL)ADENINE DIPHOSPHATE |
| Formula: | C8 H14 N5 O10 P3 |
| Formal charge: | 0 |
| Formula weight: | 433.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | 2-(6-aminopurin-9-yl)ethoxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(CCOC[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)cnc12 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2n(CCOC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H14N5O10P3/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | MELHEUHXJKQZNC-UHFFFAOYSA-N |
