A1H39
Summary
| Name: | (1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol |
| Synonyms: | ADG (3,6-anhydro-D-galactose) |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10O4/c7-3-1-9-4-2-10-6(3)5(4)8/h3-8H,1-2H2/t3-,4+,5-,6+/m0/s1 |
| InChIKey | InChI | 1.06 | YOSORPVRDQOTPQ-BGPJRJDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CO[C@@H]2CO[C@H]1[C@H]2O |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH]2CO[CH]1[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]2[C@H]([C@H](O1)CO2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C2C(C(O1)CO2)O)O |
