46Z
Summary
| Name: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate |
| Synonyms: | Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form |
| Formula: | C12 H16 F O7 P |
| Formal charge: | 0 |
| Formula weight: | 322.223 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4S,5S)-4-fluoranyl-3,5-bis(oxidanyl)oxolan-2-yl] 2-phenylethyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | SMTSAPKONQAWEG-FIQHERPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1O[C@H](O[P](O)(=O)OCCc2ccccc2)[C@@H](O)[C@@H]1F |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH](O[P](O)(=O)OCCc2ccccc2)[CH](O)[CH]1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCOP(=O)(O)OC2C(C(C(O2)O)F)O |
