MQT
Summary
| Name: | methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside |
| Synonyms: | methyl 6-deoxy-1-seleno-beta-L-galactopyranoside methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-taloside; methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-D-taloside; methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-taloside |
| Formula: | C17 H22 O8 |
| Formal charge: | 0 |
| Formula weight: | 354.352 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside |
| OpenEye OEToolkits | 1.7.2 | [(2R,3S,4S,5S,6R)-5-acetyloxy-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] 4-methylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC1C(O)C(OC(OC)C1OC(=O)C)CO)c2ccc(cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1 |
| InChIKey | InChI | 1.03 | IYJMKTZAMJWCQH-JLHDYFKBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |
| SMILES | CACTVS | 3.370 | CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)C)OC)CO)O |
