TW7
Summary
| Name: | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride |
| Formula: | C6 H9 F3 O4 |
| Formal charge: | 0 |
| Formula weight: | 202.128 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{S},6~{R})-5,5,6-tris(fluoranyl)-2-(hydroxymethyl)oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(F)C(F)(F)C(C(O)C(O1)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | RMSFNMADPLSBKL-MBMOQRBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](F)C(F)(F)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](F)C(F)(F)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)F)(F)F)O)O)O |
