AFR
Summary
| Name: | alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride |
| Synonyms: | 2-OXO-1,2,DIDEOXY-5F-D-GLUCOPYRANOSE alpha-D-threo-hexo-2,5-diulo-5,1-syl fluoride; D-threo-hexo-2,5-diulo-5,1-syl fluoride; threo-hexo-2,5-diulo-5,1-syl fluoride |
| Formula: | C6 H9 F O5 |
| Formal charge: | 0 |
| Formula weight: | 180.131 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride |
| OpenEye OEToolkits | 1.9.2 | (4S,5S,6S)-6-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)C(O)C(F)(OC1)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | VCJAHEOIRFFLTQ-NGJCXOISSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(F)OCC(=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(F)OCC(=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(=O)C(C(C(O1)(CO)F)O)O |
