GRX
Summary
| Name: | (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol |
| Synonyms: | (S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose |
| Formula: | C7 H14 F O8 P |
| Formal charge: | 0 |
| Formula weight: | 276.153 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol |
| OpenEye OEToolkits | 1.9.2 | [(S)-fluoranyl-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(F)C1OC(C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14FO8P/c8-7(17(13,14)15)6-5(12)4(11)3(10)2(1-9)16-6/h2-7,9-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | BUPRWODHUABASJ-GEGSFZHJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](F)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)O)O)O |
