RRY
Summary
| Name: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose |
| Formula: | C6 H10 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 217.047 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{S})-2,5-bis(chloromethyl)oxolane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(CCl)OC1(CCl)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | DPQRLGLZWCGBGE-ARQDHWQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@@](O)(CCl)O[C@@H]1CCl |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[C](O)(CCl)O[CH]1CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)(CCl)O)O)O)Cl |
