TS8
Summary
| Name: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose |
| Synonyms: | 3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucose; 2,3,4,6-tetra-O-acetyl-1-thio-D-glucose; 2,3,4,6-tetra-O-acetyl-1-thio-glucose |
| Formula: | C14 H20 O9 S |
| Formal charge: | 0 |
| Formula weight: | 364.368 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.6.1 | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyl-oxan-2-yl]methyl ethanoate |
| PDB-CARE | 1.0 | b-D-Glcp1SH2Ac3Ac4Ac6Ac |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| SMILES | CACTVS | 3.352 | CC(=O)OC[CH]1O[CH](S)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | SFOZKJGZNOBSHF-RGDJUOJXSA-N |
