RRJ
Summary
| Name: | 4-chloro-4-deoxy-alpha-D-galactopyranose |
| Formula: | C6 H11 Cl O5 |
| Formal charge: | 0 |
| Formula weight: | 198.602 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-4-deoxy-alpha-D-galactopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{R},5~{R},6~{R})-5-chloranyl-6-(hydroxymethyl)oxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(C(C(C(O1)CO)Cl)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | UDOJFSFHKNQOHC-PHYPRBDBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1Cl |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)O)O)O)Cl)O |
