914
Summary
| Name: | [(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid |
| Synonyms: | [(5-(6-amino-purin-9-yl)-4-fluoro-2,5-dihydro-furan-2-yloxymethyl)phosphonate-diphosphate] |
| Formula: | C10 H13 F N5 O11 P3 |
| Formal charge: | 0 |
| Formula weight: | 491.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C3F |
| SMILES | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)C3C(=CC(O3)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13FN5O11P3/c11-5-1-6(24-4-28(17,18)26-30(22,23)27-29(19,20)21)25-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)/t6-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | VWRYHMYAWKXIKG-QUBYGPBYSA-N |
