98U
Summary
| Name: | 3-O-acetyl-6-deoxy-alpha-L-galactopyranose |
| Formula: | C8 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 206.193 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-O-acetyl-6-deoxy-alpha-L-galactopyranose |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{R},4~{R},5~{S},6~{R})-2-methyl-3,5,6-tris(oxidanyl)oxan-4-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(=O)C)C(O)C(OC1C)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | DSRWWNDXQIXWDI-RMQBOJNYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)[CH](O)[CH](OC(C)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)OC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)O)O)OC(=O)C)O |
